N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide

C19H20N4OS2 — CID 56763271

IUPACN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide
SMILESCCCc1cc(-c2nc(C)c(C(=O)Nc3nc4c(s3)CCC4)s2)ccn1
InChIInChI=1S/C19H20N4OS2/c1-3-5-13-10-12(8-9-20-13)18-21-11(2)16(26-18)17(24)23-19-22-14-6-4-7-15(14)25-19/h8-10H,3-7H2,1-2H3,(H,22,23,24)
InChIKeyZMVFWIGKNLWEPK-UHFFFAOYSA-N
MW384.53 g/mol
LogP4.66
Rot. Bonds5

About N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide (PubChem CID 56763271) has the molecular formula C19H20N4OS2 and a molecular weight of 384.53 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide
PubChem CID56763271
Molecular FormulaC19H20N4OS2
Molecular Weight384.53 g/mol
Exact Mass384.11
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide
SMILESCCCc1cc(-c2nc(C)c(C(=O)Nc3nc4c(s3)CCC4)s2)ccn1
InChIInChI=1S/C19H20N4OS2/c1-3-5-13-10-12(8-9-20-13)18-21-11(2)16(26-18)17(24)23-19-22-14-6-4-7-15(14)25-19/h8-10H,3-7H2,1-2H3,(H,22,23,24)
InChIKeyZMVFWIGKNLWEPK-UHFFFAOYSA-N
XLogP4.66
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide (CID 56763271) is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide is CCCc1cc(-c2nc(C)c(C(=O)Nc3nc4c(s3)CCC4)s2)ccn1.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide?
The InChIKey is ZMVFWIGKNLWEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS2/c1-3-5-13-10-12(8-9-20-13)18-21-11(2)16(26-18)17(24)23-19-22-14-6-4-7-15(14)25-19/h8-10H,3-7H2,1-2H3,(H,22,23,24).
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide?
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide has a molecular weight of 384.53 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 56763271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).