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

C17H23N7O2S — CID 134810317

IUPACN-[2-(2-oxoimidazolidin-1-yl)ethyl]-7-(1,3-thiazol-2-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide
SMILESO=C(NCCN1CCNC1=O)c1cnc2n1CCN(Cc1nccs1)CC2
InChIInChI=1S/C17H23N7O2S/c25-16(19-2-6-23-7-3-20-17(23)26)13-11-21-14-1-5-22(8-9-24(13)14)12-15-18-4-10-27-15/h4,10-11H,1-3,5-9,12H2,(H,19,25)(H,20,26)
InChIKeyKXHHVRSJKAJYTP-UHFFFAOYSA-N
MW389.49 g/mol
LogP0.15
Rot. Bonds6

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

N-[2-(2-oxoimidazolidin-1-yl)ethyl]-7-(1,3-thiazol-2-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide (PubChem CID 134810317) has the molecular formula C17H23N7O2S and a molecular weight of 389.49 g/mol. Its IUPAC name is N-[2-(2-oxoimidazolidin-1-yl)ethyl]-7-(1,3-thiazol-2-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-oxoimidazolidin-1-yl)ethyl]-7-(1,3-thiazol-2-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide
PubChem CID134810317
Molecular FormulaC17H23N7O2S
Molecular Weight389.49 g/mol
Exact Mass389.16
IUPAC NameN-[2-(2-oxoimidazolidin-1-yl)ethyl]-7-(1,3-thiazol-2-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide
SMILESO=C(NCCN1CCNC1=O)c1cnc2n1CCN(Cc1nccs1)CC2
InChIInChI=1S/C17H23N7O2S/c25-16(19-2-6-23-7-3-20-17(23)26)13-11-21-14-1-5-22(8-9-24(13)14)12-15-18-4-10-27-15/h4,10-11H,1-3,5-9,12H2,(H,19,25)(H,20,26)
InChIKeyKXHHVRSJKAJYTP-UHFFFAOYSA-N
XLogP0.15
TPSA95.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.49
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-(2-oxoimidazolidin-1-yl)ethyl]-7-(1,3-thiazol-2-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide with MolForge

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Related Compounds

N-[[7-(1,3-thiazol-2-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]pyridin-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 155827797
N-[2-(2-oxoimidazolidin-1-yl)ethyl]carbamate
CID 18454819
N-[2-(2-oxoimidazolidin-1-yl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 118795910
5-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,2-oxazole-4-carboxamide
CID 90649554
2-tert-butyl-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1H-pyrimidine-5-carboxamide
CID 70760010
(3Z)-1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[2-(2-oxoimidazolidin-1-yl)ethylcarbamoylimino]urea
CID 88552348
N-benzyl-7-[(3-cyanophenyl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide
CID 134806201
9-methoxy-N-[(2-methoxyphenyl)methyl]-7-oxo-3-(1,3-thiazol-2-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide
CID 26347330
N-[2-(2-oxoimidazolidin-1-yl)ethyl]propanamide
CID 59804618
N-(cyclopropylmethyl)-7-(2-phenylethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide
CID 134807137
7-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
CID 97390958
N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1-benzofuran-2-carboxamide
CID 90649233

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxoimidazolidin-1-yl)ethyl]-7-(1,3-thiazol-2-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide?
The IUPAC name of N-[2-(2-oxoimidazolidin-1-yl)ethyl]-7-(1,3-thiazol-2-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide (CID 134810317) is N-[2-(2-oxoimidazolidin-1-yl)ethyl]-7-(1,3-thiazol-2-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide.
What is the SMILES notation for N-[2-(2-oxoimidazolidin-1-yl)ethyl]-7-(1,3-thiazol-2-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide?
The canonical SMILES for N-[2-(2-oxoimidazolidin-1-yl)ethyl]-7-(1,3-thiazol-2-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide is O=C(NCCN1CCNC1=O)c1cnc2n1CCN(Cc1nccs1)CC2.
What is the InChIKey of N-[2-(2-oxoimidazolidin-1-yl)ethyl]-7-(1,3-thiazol-2-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide?
The InChIKey is KXHHVRSJKAJYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O2S/c25-16(19-2-6-23-7-3-20-17(23)26)13-11-21-14-1-5-22(8-9-24(13)14)12-15-18-4-10-27-15/h4,10-11H,1-3,5-9,12H2,(H,19,25)(H,20,26).
What are the key properties of N-[2-(2-oxoimidazolidin-1-yl)ethyl]-7-(1,3-thiazol-2-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide?
N-[2-(2-oxoimidazolidin-1-yl)ethyl]-7-(1,3-thiazol-2-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide has a molecular weight of 389.49 g/mol, XLogP of 0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxoimidazolidin-1-yl)ethyl]-7-(1,3-thiazol-2-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide is sourced from PubChem (CID 134810317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).