2-(ethylamino)-4-methyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-1,3-thiazole-5-carboxamide

C15H22N6OS — CID 70712298

IUPAC2-(ethylamino)-4-methyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(C)c(C(=O)NCc2cc3n(n2)CCCNC3)s1
InChIInChI=1S/C15H22N6OS/c1-3-17-15-19-10(2)13(23-15)14(22)18-8-11-7-12-9-16-5-4-6-21(12)20-11/h7,16H,3-6,8-9H2,1-2H3,(H,17,19)(H,18,22)
InChIKeyHMDAZVJRDBEGPE-UHFFFAOYSA-N
MW334.45 g/mol
LogP1.50
Rot. Bonds5

About 2-(ethylamino)-4-methyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-1,3-thiazole-5-carboxamide

2-(ethylamino)-4-methyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 70712298) has the molecular formula C15H22N6OS and a molecular weight of 334.45 g/mol. Its IUPAC name is 2-(ethylamino)-4-methyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-4-methyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID70712298
Molecular FormulaC15H22N6OS
Molecular Weight334.45 g/mol
Exact Mass334.16
IUPAC Name2-(ethylamino)-4-methyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(C)c(C(=O)NCc2cc3n(n2)CCCNC3)s1
InChIInChI=1S/C15H22N6OS/c1-3-17-15-19-10(2)13(23-15)14(22)18-8-11-7-12-9-16-5-4-6-21(12)20-11/h7,16H,3-6,8-9H2,1-2H3,(H,17,19)(H,18,22)
InChIKeyHMDAZVJRDBEGPE-UHFFFAOYSA-N
XLogP1.50
TPSA83.87 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-(ethylamino)-4-methyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-[2-(Methylamino)-1,3-thiazole-4-carbonyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-pyrrolidin-1-ylmethanone
CID 50949440
N-(5-acetyl-4-methylthiazol-2-yl)-1,5-dimethyl-1H-pyrazole-3-carboxamide
CID 16952132
N-(5-acetyl-4-methylthiazol-2-yl)-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 16952740
N-(4-(2-amino-2-oxoethyl)thiazol-2-yl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)acetamide
CID 49720286
3-(2-amino-1,3-thiazol-4-yl)-N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]propanamide
CID 97853130
2-(ethylamino)-4-methyl-N-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-1,3-thiazole-5-carboxamide
CID 118775996
2-acetamido-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1,3-thiazole-4-carboxamide
CID 45827712
N-butyl-2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3-thiazol-4-yl]acetamide
CID 46265271
2-[2-(3,5-Dimethyl-1H-pyrazol-1-YL)-1,3-thiazol-4-YL]-N-(propan-2-YL)acetamide
CID 46265273
N-butyl-2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 50745190
2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
CID 50745191
2-(3,5-dimethylpyrazol-1-yl)-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 50745192

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-methyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(ethylamino)-4-methyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-1,3-thiazole-5-carboxamide (CID 70712298) is 2-(ethylamino)-4-methyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(ethylamino)-4-methyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(ethylamino)-4-methyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-1,3-thiazole-5-carboxamide is CCNc1nc(C)c(C(=O)NCc2cc3n(n2)CCCNC3)s1.
What is the InChIKey of 2-(ethylamino)-4-methyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is HMDAZVJRDBEGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6OS/c1-3-17-15-19-10(2)13(23-15)14(22)18-8-11-7-12-9-16-5-4-6-21(12)20-11/h7,16H,3-6,8-9H2,1-2H3,(H,17,19)(H,18,22).
What are the key properties of 2-(ethylamino)-4-methyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
2-(ethylamino)-4-methyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 334.45 g/mol, XLogP of 1.50, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-methyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 70712298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).