N-[(3R)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide

C20H20ClN3O3S — CID 99801244

IUPACN-[(3R)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Cl)cc1N1CC[C@@H](NC(=O)c2nc(-c3ccco3)sc2C)C1
InChIInChI=1S/C20H20ClN3O3S/c1-12-18(23-20(28-12)17-4-3-9-27-17)19(25)22-14-7-8-24(11-14)15-10-13(21)5-6-16(15)26-2/h3-6,9-10,14H,7-8,11H2,1-2H3,(H,22,25)/t14-/m1/s1
InChIKeyMPSMDELDAIJSSH-CQSZACIVSA-N
MW417.92 g/mol
LogP4.38
Rot. Bonds5

About N-[(3R)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide

N-[(3R)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide (PubChem CID 99801244) has the molecular formula C20H20ClN3O3S and a molecular weight of 417.92 g/mol. Its IUPAC name is N-[(3R)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide
PubChem CID99801244
Molecular FormulaC20H20ClN3O3S
Molecular Weight417.92 g/mol
Exact Mass417.09
IUPAC NameN-[(3R)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Cl)cc1N1CC[C@@H](NC(=O)c2nc(-c3ccco3)sc2C)C1
InChIInChI=1S/C20H20ClN3O3S/c1-12-18(23-20(28-12)17-4-3-9-27-17)19(25)22-14-7-8-24(11-14)15-10-13(21)5-6-16(15)26-2/h3-6,9-10,14H,7-8,11H2,1-2H3,(H,22,25)/t14-/m1/s1
InChIKeyMPSMDELDAIJSSH-CQSZACIVSA-N
XLogP4.38
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.92
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3R)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-1-(furan-2-ylmethyl)-1-prop-2-ynylurea
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2-(furan-2-yl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-methyl-1,3-thiazole-4-carboxamide
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N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-1-hydroxycyclopentane-1-carboxamide
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2-amino-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]acetamide;dihydrochloride
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(2R,6S)-N-[(3S)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2,6-dimethylmorpholine-4-carboxamide
CID 99819959
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N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-(cyclopropylmethylamino)acetamide
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4-[[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]amino]-2,2-dimethyl-4-oxobutanoic acid
CID 119133774
trans-(1S,2S)-2-amino-N-[(3S)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
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2-amino-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-phenylpropanamide;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3R)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide (CID 99801244) is N-[(3R)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3R)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3R)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide is COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)c2nc(-c3ccco3)sc2C)C1.
What is the InChIKey of N-[(3R)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is MPSMDELDAIJSSH-CQSZACIVSA-N. The full InChI is InChI=1S/C20H20ClN3O3S/c1-12-18(23-20(28-12)17-4-3-9-27-17)19(25)22-14-7-8-24(11-14)15-10-13(21)5-6-16(15)26-2/h3-6,9-10,14H,7-8,11H2,1-2H3,(H,22,25)/t14-/m1/s1.
What are the key properties of N-[(3R)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide?
N-[(3R)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 417.92 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 99801244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).