N,1-dimethyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepane-6-carboxamide

C13H22N4OS — CID 110107450

IUPACN,1-dimethyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepane-6-carboxamide
SMILESCNC(=O)C1CN(C)CCN(Cc2scnc2C)C1
InChIInChI=1S/C13H22N4OS/c1-10-12(19-9-15-10)8-17-5-4-16(3)6-11(7-17)13(18)14-2/h9,11H,4-8H2,1-3H3,(H,14,18)
InChIKeyHRLULCCUQPZGOS-UHFFFAOYSA-N
MW282.41 g/mol
LogP0.56
Rot. Bonds3

About N,1-dimethyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepane-6-carboxamide

N,1-dimethyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepane-6-carboxamide (PubChem CID 110107450) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is N,1-dimethyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepane-6-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepane-6-carboxamide
PubChem CID110107450
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC NameN,1-dimethyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepane-6-carboxamide
SMILESCNC(=O)C1CN(C)CCN(Cc2scnc2C)C1
InChIInChI=1S/C13H22N4OS/c1-10-12(19-9-15-10)8-17-5-4-16(3)6-11(7-17)13(18)14-2/h9,11H,4-8H2,1-3H3,(H,14,18)
InChIKeyHRLULCCUQPZGOS-UHFFFAOYSA-N
XLogP0.56
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6S)-N,1-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-6-carboxamide
CID 124976732
(6S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide
CID 125025309
N,1-dimethyl-4-(quinolin-2-ylmethyl)-1,4-diazepane-6-carboxamide
CID 155983258
(6R)-1-[(2-ethoxyphenyl)methyl]-N,4-dimethyl-1,4-diazepane-6-carboxamide
CID 124991058
1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide
CID 136529761
1-[(3S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-3-phenylpropan-1-one
CID 95714959
1-acetyl-N-methyl-4-(1,3-thiazol-5-ylmethyl)-1,4-diazepane-6-carboxamide
CID 127247929
5-[[6-(isoquinolin-4-ylmethyl)-4-methyl-1,4-diazepan-1-yl]methyl]-4-methyl-1,3-thiazole
CID 110132087
1-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]ethanol
CID 53193301
(3R,4R)-4-hydroxy-1-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidine-3-carboxamide
CID 166616622
(3S)-N-ethyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 124516725
1-(4-methylpiperazin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanone
CID 110679590

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepane-6-carboxamide?
The IUPAC name of N,1-dimethyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepane-6-carboxamide (CID 110107450) is N,1-dimethyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepane-6-carboxamide.
What is the SMILES notation for N,1-dimethyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepane-6-carboxamide?
The canonical SMILES for N,1-dimethyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepane-6-carboxamide is CNC(=O)C1CN(C)CCN(Cc2scnc2C)C1.
What is the InChIKey of N,1-dimethyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepane-6-carboxamide?
The InChIKey is HRLULCCUQPZGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-10-12(19-9-15-10)8-17-5-4-16(3)6-11(7-17)13(18)14-2/h9,11H,4-8H2,1-3H3,(H,14,18).
What are the key properties of N,1-dimethyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepane-6-carboxamide?
N,1-dimethyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepane-6-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepane-6-carboxamide is sourced from PubChem (CID 110107450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).