N-(4-chlorophenyl)-2-[cyclopropanecarbonyl(furan-2-ylmethyl)amino]-5-methyl-1,3-thiazole-4-carboxamide

C20H18ClN3O3S — CID 1455393

IUPACN-(4-chlorophenyl)-2-[cyclopropanecarbonyl(furan-2-ylmethyl)amino]-5-methyl-1,3-thiazole-4-carboxamide
SMILESCc1sc(N(Cc2ccco2)C(=O)C2CC2)nc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H18ClN3O3S/c1-12-17(18(25)22-15-8-6-14(21)7-9-15)23-20(28-12)24(19(26)13-4-5-13)11-16-3-2-10-27-16/h2-3,6-10,13H,4-5,11H2,1H3,(H,22,25)
InChIKeyCRGGUCMIIHCNBB-UHFFFAOYSA-N
MW415.90 g/mol
LogP4.89
Rot. Bonds6

About N-(4-chlorophenyl)-2-[cyclopropanecarbonyl(furan-2-ylmethyl)amino]-5-methyl-1,3-thiazole-4-carboxamide

N-(4-chlorophenyl)-2-[cyclopropanecarbonyl(furan-2-ylmethyl)amino]-5-methyl-1,3-thiazole-4-carboxamide (PubChem CID 1455393) has the molecular formula C20H18ClN3O3S and a molecular weight of 415.90 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[cyclopropanecarbonyl(furan-2-ylmethyl)amino]-5-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[cyclopropanecarbonyl(furan-2-ylmethyl)amino]-5-methyl-1,3-thiazole-4-carboxamide
PubChem CID1455393
Molecular FormulaC20H18ClN3O3S
Molecular Weight415.90 g/mol
Exact Mass415.08
IUPAC NameN-(4-chlorophenyl)-2-[cyclopropanecarbonyl(furan-2-ylmethyl)amino]-5-methyl-1,3-thiazole-4-carboxamide
SMILESCc1sc(N(Cc2ccco2)C(=O)C2CC2)nc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H18ClN3O3S/c1-12-17(18(25)22-15-8-6-14(21)7-9-15)23-20(28-12)24(19(26)13-4-5-13)11-16-3-2-10-27-16/h2-3,6-10,13H,4-5,11H2,1H3,(H,22,25)
InChIKeyCRGGUCMIIHCNBB-UHFFFAOYSA-N
XLogP4.89
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.90
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[cyclopropanecarbonyl(furan-2-ylmethyl)amino]-5-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-[cyclopropanecarbonyl(furan-2-ylmethyl)amino]-5-methyl-1,3-thiazole-4-carboxamide (CID 1455393) is N-(4-chlorophenyl)-2-[cyclopropanecarbonyl(furan-2-ylmethyl)amino]-5-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[cyclopropanecarbonyl(furan-2-ylmethyl)amino]-5-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[cyclopropanecarbonyl(furan-2-ylmethyl)amino]-5-methyl-1,3-thiazole-4-carboxamide is Cc1sc(N(Cc2ccco2)C(=O)C2CC2)nc1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[cyclopropanecarbonyl(furan-2-ylmethyl)amino]-5-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is CRGGUCMIIHCNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3S/c1-12-17(18(25)22-15-8-6-14(21)7-9-15)23-20(28-12)24(19(26)13-4-5-13)11-16-3-2-10-27-16/h2-3,6-10,13H,4-5,11H2,1H3,(H,22,25).
What are the key properties of N-(4-chlorophenyl)-2-[cyclopropanecarbonyl(furan-2-ylmethyl)amino]-5-methyl-1,3-thiazole-4-carboxamide?
N-(4-chlorophenyl)-2-[cyclopropanecarbonyl(furan-2-ylmethyl)amino]-5-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 415.90 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[cyclopropanecarbonyl(furan-2-ylmethyl)amino]-5-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 1455393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).