N-[(2,3-difluorophenyl)methyl]-7-(1,2-thiazol-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide

C19H19F2N5OS — CID 156585834

IUPACN-[(2,3-difluorophenyl)methyl]-7-(1,2-thiazol-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide
SMILESO=C(NCc1cccc(F)c1F)c1cn2c(n1)CCN(Cc1cnsc1)CC2
InChIInChI=1S/C19H19F2N5OS/c20-15-3-1-2-14(18(15)21)9-22-19(27)16-11-26-7-6-25(5-4-17(26)24-16)10-13-8-23-28-12-13/h1-3,8,11-12H,4-7,9-10H2,(H,22,27)
InChIKeyRUOCZSNGGWYDPP-UHFFFAOYSA-N
MW403.46 g/mol
LogP2.61
Rot. Bonds5

About N-[(2,3-difluorophenyl)methyl]-7-(1,2-thiazol-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide

N-[(2,3-difluorophenyl)methyl]-7-(1,2-thiazol-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide (PubChem CID 156585834) has the molecular formula C19H19F2N5OS and a molecular weight of 403.46 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)methyl]-7-(1,2-thiazol-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)methyl]-7-(1,2-thiazol-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide
PubChem CID156585834
Molecular FormulaC19H19F2N5OS
Molecular Weight403.46 g/mol
Exact Mass403.13
IUPAC NameN-[(2,3-difluorophenyl)methyl]-7-(1,2-thiazol-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide
SMILESO=C(NCc1cccc(F)c1F)c1cn2c(n1)CCN(Cc1cnsc1)CC2
InChIInChI=1S/C19H19F2N5OS/c20-15-3-1-2-14(18(15)21)9-22-19(27)16-11-26-7-6-25(5-4-17(26)24-16)10-13-8-23-28-12-13/h1-3,8,11-12H,4-7,9-10H2,(H,22,27)
InChIKeyRUOCZSNGGWYDPP-UHFFFAOYSA-N
XLogP2.61
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-bromophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 71838021
N-[(2-chloro-6-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide
CID 155498932
N-[(2,5-difluorophenyl)methyl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 71838415
N-benzyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride
CID 155971749
N-[(2-methoxyphenyl)methyl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 53167148
1-[(2,3-difluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 75470128
N-[(4-methylsulfanylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 53167923
1-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-2-(4-nitropyrazol-1-yl)ethanone
CID 19531329
6-[4-[(2,3-difluorophenyl)methyl]-1,4-diazepan-1-yl]pyridine-2-carboxamide
CID 173077876
[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[4-[(4-nitropyrazol-1-yl)methyl]phenyl]methanone
CID 19292852
1-[1-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19504984
N-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 53167909

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)methyl]-7-(1,2-thiazol-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide?
The IUPAC name of N-[(2,3-difluorophenyl)methyl]-7-(1,2-thiazol-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide (CID 156585834) is N-[(2,3-difluorophenyl)methyl]-7-(1,2-thiazol-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide.
What is the SMILES notation for N-[(2,3-difluorophenyl)methyl]-7-(1,2-thiazol-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide?
The canonical SMILES for N-[(2,3-difluorophenyl)methyl]-7-(1,2-thiazol-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide is O=C(NCc1cccc(F)c1F)c1cn2c(n1)CCN(Cc1cnsc1)CC2.
What is the InChIKey of N-[(2,3-difluorophenyl)methyl]-7-(1,2-thiazol-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide?
The InChIKey is RUOCZSNGGWYDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5OS/c20-15-3-1-2-14(18(15)21)9-22-19(27)16-11-26-7-6-25(5-4-17(26)24-16)10-13-8-23-28-12-13/h1-3,8,11-12H,4-7,9-10H2,(H,22,27).
What are the key properties of N-[(2,3-difluorophenyl)methyl]-7-(1,2-thiazol-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide?
N-[(2,3-difluorophenyl)methyl]-7-(1,2-thiazol-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide has a molecular weight of 403.46 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)methyl]-7-(1,2-thiazol-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide is sourced from PubChem (CID 156585834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).