N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

C18H24N6OS — CID 50964579

IUPACN-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESCC(NC(=O)c1cc2n(n1)CCCN(C(C)C)C2)c1cn2ccsc2n1
InChIInChI=1S/C18H24N6OS/c1-12(2)22-5-4-6-24-14(10-22)9-15(21-24)17(25)19-13(3)16-11-23-7-8-26-18(23)20-16/h7-9,11-13H,4-6,10H2,1-3H3,(H,19,25)
InChIKeyVNUYZXGLULHRNA-UHFFFAOYSA-N
MW372.50 g/mol
LogP2.70
Rot. Bonds4

About N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide (PubChem CID 50964579) has the molecular formula C18H24N6OS and a molecular weight of 372.50 g/mol. Its IUPAC name is N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide.

Molecular Properties

Compound NameN-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
PubChem CID50964579
Molecular FormulaC18H24N6OS
Molecular Weight372.50 g/mol
Exact Mass372.17
IUPAC NameN-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESCC(NC(=O)c1cc2n(n1)CCCN(C(C)C)C2)c1cn2ccsc2n1
InChIInChI=1S/C18H24N6OS/c1-12(2)22-5-4-6-24-14(10-22)9-15(21-24)17(25)19-13(3)16-11-23-7-8-26-18(23)20-16/h7-9,11-13H,4-6,10H2,1-3H3,(H,19,25)
InChIKeyVNUYZXGLULHRNA-UHFFFAOYSA-N
XLogP2.70
TPSA67.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.50
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The IUPAC name of N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide (CID 50964579) is N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide.
What is the SMILES notation for N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The canonical SMILES for N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide is CC(NC(=O)c1cc2n(n1)CCCN(C(C)C)C2)c1cn2ccsc2n1.
What is the InChIKey of N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The InChIKey is VNUYZXGLULHRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6OS/c1-12(2)22-5-4-6-24-14(10-22)9-15(21-24)17(25)19-13(3)16-11-23-7-8-26-18(23)20-16/h7-9,11-13H,4-6,10H2,1-3H3,(H,19,25).
What are the key properties of N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide has a molecular weight of 372.50 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide is sourced from PubChem (CID 50964579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).