N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-methylacetamide

C15H20N4OS2 — CID 50974444

IUPACN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-methylacetamide
SMILESCCSc1nc(CC(=O)N(C)Cc2cc(C3CC3)n[nH]2)cs1
InChIInChI=1S/C15H20N4OS2/c1-3-21-15-16-12(9-22-15)7-14(20)19(2)8-11-6-13(18-17-11)10-4-5-10/h6,9-10H,3-5,7-8H2,1-2H3,(H,17,18)
InChIKeyCQHSXVNIIPPAJS-UHFFFAOYSA-N
MW336.49 g/mol
LogP3.06
Rot. Bonds7

About N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-methylacetamide

N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-methylacetamide (PubChem CID 50974444) has the molecular formula C15H20N4OS2 and a molecular weight of 336.49 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-methylacetamide
PubChem CID50974444
Molecular FormulaC15H20N4OS2
Molecular Weight336.49 g/mol
Exact Mass336.11
IUPAC NameN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-methylacetamide
SMILESCCSc1nc(CC(=O)N(C)Cc2cc(C3CC3)n[nH]2)cs1
InChIInChI=1S/C15H20N4OS2/c1-3-21-15-16-12(9-22-15)7-14(20)19(2)8-11-6-13(18-17-11)10-4-5-10/h6,9-10H,3-5,7-8H2,1-2H3,(H,17,18)
InChIKeyCQHSXVNIIPPAJS-UHFFFAOYSA-N
XLogP3.06
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.49
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-methylacetamide with MolForge

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Related Compounds

N-[(5-Cyclopropyl-1H-pyrazol-3-YL)methyl]-2-isopropyl-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 50974003
1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one
CID 71926774
1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
CID 71926808
(5-cyclopropyl-1H-pyrazol-3-yl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 72135950
[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 72145425
(5-cyclopropyl-1H-pyrazol-3-yl)-[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 72145439
5-[(cyclopropylmethylamino)methyl]-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 177700551
5-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 47290731
N-[(5-Cyclopropyl-1H-pyrazol-3-YL)methyl]-2-ethyl-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 50973346
N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 121523266
3-cyclopropyl-N,5-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-4-carboxamide
CID 124211498
3-cyclopropyl-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-carboxamide
CID 131904718

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-methylacetamide?
The IUPAC name of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-methylacetamide (CID 50974444) is N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-methylacetamide.
What is the SMILES notation for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-methylacetamide?
The canonical SMILES for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-methylacetamide is CCSc1nc(CC(=O)N(C)Cc2cc(C3CC3)n[nH]2)cs1.
What is the InChIKey of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-methylacetamide?
The InChIKey is CQHSXVNIIPPAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS2/c1-3-21-15-16-12(9-22-15)7-14(20)19(2)8-11-6-13(18-17-11)10-4-5-10/h6,9-10H,3-5,7-8H2,1-2H3,(H,17,18).
What are the key properties of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-methylacetamide?
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-methylacetamide has a molecular weight of 336.49 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-methylacetamide is sourced from PubChem (CID 50974444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).