N,N-dimethyl-6-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide

C16H23N5O2S — CID 118744577

IUPACN,N-dimethyl-6-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide
SMILESCc1nc(COCC2CN(C(=O)N(C)C)Cc3nccn3C2)cs1
InChIInChI=1S/C16H23N5O2S/c1-12-18-14(11-24-12)10-23-9-13-6-20-5-4-17-15(20)8-21(7-13)16(22)19(2)3/h4-5,11,13H,6-10H2,1-3H3
InChIKeyKCQIETRVLHPEOP-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.98
Rot. Bonds4

About N,N-dimethyl-6-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide

N,N-dimethyl-6-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide (PubChem CID 118744577) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is N,N-dimethyl-6-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-6-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide
PubChem CID118744577
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC NameN,N-dimethyl-6-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide
SMILESCc1nc(COCC2CN(C(=O)N(C)C)Cc3nccn3C2)cs1
InChIInChI=1S/C16H23N5O2S/c1-12-18-14(11-24-12)10-23-9-13-6-20-5-4-17-15(20)8-21(7-13)16(22)19(2)3/h4-5,11,13H,6-10H2,1-3H3
InChIKeyKCQIETRVLHPEOP-UHFFFAOYSA-N
XLogP1.98
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-6-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide with MolForge

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Related Compounds

2-methyl-4-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-6-ylmethoxymethyl)-1,3-thiazole
CID 118738887
4-[[6-(Cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole
CID 118743597
4-[[6-(Methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole
CID 118743603
4-[[6-(Ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole
CID 118743608
6-[(2-Methyl-1,3-thiazol-4-yl)methoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide
CID 118744573
4-[[8-[(2-Methyl-1,3-thiazol-4-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine
CID 118746158
4-[[8-(2-Methoxyethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methoxymethyl]-2-methyl-1,3-thiazole
CID 118746535
4-[(8-Ethyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methoxymethyl]-2-methyl-1,3-thiazole
CID 118746542
6-[(2-Methyl-1,3-thiazol-4-yl)methoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide;2,2,2-trifluoroacetic acid
CID 118744572
N,N-dimethyl-6-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide;2,2,2-trifluoroacetic acid
CID 118744576
4-[[8-(2-Methoxyethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methoxymethyl]-2-methyl-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
CID 118746534
4-[(8-Ethyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methoxymethyl]-2-methyl-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
CID 118746541

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide?
The IUPAC name of N,N-dimethyl-6-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide (CID 118744577) is N,N-dimethyl-6-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide.
What is the SMILES notation for N,N-dimethyl-6-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide?
The canonical SMILES for N,N-dimethyl-6-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide is Cc1nc(COCC2CN(C(=O)N(C)C)Cc3nccn3C2)cs1.
What is the InChIKey of N,N-dimethyl-6-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide?
The InChIKey is KCQIETRVLHPEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-12-18-14(11-24-12)10-23-9-13-6-20-5-4-17-15(20)8-21(7-13)16(22)19(2)3/h4-5,11,13H,6-10H2,1-3H3.
What are the key properties of N,N-dimethyl-6-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide?
N,N-dimethyl-6-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide is sourced from PubChem (CID 118744577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).