2-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methylamino]-1,3-thiazole-4-carboxamide

C17H22N6O2S — CID 70711191

IUPAC2-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methylamino]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(NCc2cc3n(n2)CCCN(C(=O)C2CCC2)C3)n1
InChIInChI=1S/C17H22N6O2S/c18-15(24)14-10-26-17(20-14)19-8-12-7-13-9-22(5-2-6-23(13)21-12)16(25)11-3-1-4-11/h7,10-11H,1-6,8-9H2,(H2,18,24)(H,19,20)
InChIKeyHSXNXGQNRWAYJK-UHFFFAOYSA-N
MW374.47 g/mol
LogP1.58
Rot. Bonds5

About 2-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methylamino]-1,3-thiazole-4-carboxamide

2-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methylamino]-1,3-thiazole-4-carboxamide (PubChem CID 70711191) has the molecular formula C17H22N6O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is 2-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methylamino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methylamino]-1,3-thiazole-4-carboxamide
PubChem CID70711191
Molecular FormulaC17H22N6O2S
Molecular Weight374.47 g/mol
Exact Mass374.15
IUPAC Name2-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methylamino]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(NCc2cc3n(n2)CCCN(C(=O)C2CCC2)C3)n1
InChIInChI=1S/C17H22N6O2S/c18-15(24)14-10-26-17(20-14)19-8-12-7-13-9-22(5-2-6-23(13)21-12)16(25)11-3-1-4-11/h7,10-11H,1-6,8-9H2,(H2,18,24)(H,19,20)
InChIKeyHSXNXGQNRWAYJK-UHFFFAOYSA-N
XLogP1.58
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]pyrrolidine-1-carboxamide
CID 70744863
cyclobutyl-[2-[(pyrimidin-2-ylamino)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
CID 70767265
1-[(2R)-butan-2-yl]-3-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]urea
CID 96580555
(2R)-N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-1-methylpiperidine-2-carboxamide
CID 96579560
1-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-3-phenylurea
CID 70741663
1-[6-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methylamino]-3-pyridinyl]ethanone
CID 70720851
N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 72853888
N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-4-methylthiadiazole-5-carboxamide
CID 70720408
cyclobutyl-[2-[(pyrazin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 121498493
N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-6-methylpyridine-3-carboxamide
CID 70734598
N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 72907233
N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 86283629

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methylamino]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methylamino]-1,3-thiazole-4-carboxamide (CID 70711191) is 2-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methylamino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methylamino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methylamino]-1,3-thiazole-4-carboxamide is NC(=O)c1csc(NCc2cc3n(n2)CCCN(C(=O)C2CCC2)C3)n1.
What is the InChIKey of 2-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methylamino]-1,3-thiazole-4-carboxamide?
The InChIKey is HSXNXGQNRWAYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2S/c18-15(24)14-10-26-17(20-14)19-8-12-7-13-9-22(5-2-6-23(13)21-12)16(25)11-3-1-4-11/h7,10-11H,1-6,8-9H2,(H2,18,24)(H,19,20).
What are the key properties of 2-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methylamino]-1,3-thiazole-4-carboxamide?
2-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methylamino]-1,3-thiazole-4-carboxamide has a molecular weight of 374.47 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methylamino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 70711191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).