N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-[(2-pyridin-2-ylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetamide

C18H18N6O2S2 — CID 22177009

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-[(2-pyridin-2-ylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(NC(=O)CSc2ccccn2)n1)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C18H18N6O2S2/c25-15(21-14-8-13(23-24-14)11-4-5-11)7-12-9-28-18(20-12)22-16(26)10-27-17-3-1-2-6-19-17/h1-3,6,8-9,11H,4-5,7,10H2,(H,20,22,26)(H2,21,23,24,25)
InChIKeyJJJPQQITLQTLEO-UHFFFAOYSA-N
MW414.52 g/mol
LogP3.05
Rot. Bonds8

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-[(2-pyridin-2-ylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetamide

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-[(2-pyridin-2-ylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetamide (PubChem CID 22177009) has the molecular formula C18H18N6O2S2 and a molecular weight of 414.52 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-[(2-pyridin-2-ylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-[(2-pyridin-2-ylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetamide
PubChem CID22177009
Molecular FormulaC18H18N6O2S2
Molecular Weight414.52 g/mol
Exact Mass414.09
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-[(2-pyridin-2-ylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(NC(=O)CSc2ccccn2)n1)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C18H18N6O2S2/c25-15(21-14-8-13(23-24-14)11-4-5-11)7-12-9-28-18(20-12)22-16(26)10-27-17-3-1-2-6-19-17/h1-3,6,8-9,11H,4-5,7,10H2,(H,20,22,26)(H2,21,23,24,25)
InChIKeyJJJPQQITLQTLEO-UHFFFAOYSA-N
XLogP3.05
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.52
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-phenyl-1,3-thiazol-2-yl)-2-pyridin-2-ylsulfanylacetamide
CID 1426864
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-pyridin-2-ylsulfanylacetamide
CID 19727876
N-[4-(pyridin-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
CID 29437348
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-thiophen-3-ylacetamide;N-(1,3-oxazol-2-yl)-2-pyridin-2-ylacetamide
CID 174441793
2-(3-aminonaphthalen-2-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide
CID 22176805
N-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide
CID 687330
2-[2-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]-N-phenylacetamide
CID 1373327
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-phenoxyphenyl)acetamide
CID 22176647
6-[2-[[4-(carboxylatomethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylpyridine-2-carboxylate
CID 7195933
2-[2-[(2-phenylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetate
CID 6932823
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)sulfanylacetamide
CID 33302254
N-cyclopropyl-4-fluoro-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide
CID 1031029

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-[(2-pyridin-2-ylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-[(2-pyridin-2-ylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetamide (CID 22177009) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-[(2-pyridin-2-ylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-[(2-pyridin-2-ylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-[(2-pyridin-2-ylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetamide is O=C(Cc1csc(NC(=O)CSc2ccccn2)n1)Nc1cc(C2CC2)[nH]n1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-[(2-pyridin-2-ylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetamide?
The InChIKey is JJJPQQITLQTLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2S2/c25-15(21-14-8-13(23-24-14)11-4-5-11)7-12-9-28-18(20-12)22-16(26)10-27-17-3-1-2-6-19-17/h1-3,6,8-9,11H,4-5,7,10H2,(H,20,22,26)(H2,21,23,24,25).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-[(2-pyridin-2-ylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-[(2-pyridin-2-ylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetamide has a molecular weight of 414.52 g/mol, XLogP of 3.05, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-[(2-pyridin-2-ylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 22177009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).