2-(pyrrolidin-1-ylmethyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide

C20H26N4OS — CID 74239423

IUPAC2-(pyrrolidin-1-ylmethyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1cccc(N2CCCC2)c1)c1cnc(CN2CCCC2)s1
InChIInChI=1S/C20H26N4OS/c25-20(18-14-21-19(26-18)15-23-8-1-2-9-23)22-13-16-6-5-7-17(12-16)24-10-3-4-11-24/h5-7,12,14H,1-4,8-11,13,15H2,(H,22,25)
InChIKeyBVHCEZHIILUMIQ-UHFFFAOYSA-N
MW370.52 g/mol
LogP3.27
Rot. Bonds6

About 2-(pyrrolidin-1-ylmethyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide

2-(pyrrolidin-1-ylmethyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 74239423) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is 2-(pyrrolidin-1-ylmethyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(pyrrolidin-1-ylmethyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID74239423
Molecular FormulaC20H26N4OS
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC Name2-(pyrrolidin-1-ylmethyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1cccc(N2CCCC2)c1)c1cnc(CN2CCCC2)s1
InChIInChI=1S/C20H26N4OS/c25-20(18-14-21-19(26-18)15-23-8-1-2-9-23)22-13-16-6-5-7-17(12-16)24-10-3-4-11-24/h5-7,12,14H,1-4,8-11,13,15H2,(H,22,25)
InChIKeyBVHCEZHIILUMIQ-UHFFFAOYSA-N
XLogP3.27
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 91394219
N-[2-(4-methoxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 74233096
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 118785450
2-(oxolan-2-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 126774162
N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 45184928
N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 99938331
2-(2-chlorophenyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 49322069
N-[[3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]phenyl]methyl]benzamide
CID 23108907
1,7-dimethyl-N-[(3-pyrrolidin-1-ylphenyl)methyl]indole-2-carboxamide
CID 72880637
3-[(2S)-1-methylpiperidin-2-yl]-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 97201806
(3-pyrrolidin-1-ylphenyl)methanol
CID 7162062
(3-thiomorpholin-4-ylphenyl)methylcarbamic acid
CID 118480871

Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-1-ylmethyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(pyrrolidin-1-ylmethyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide (CID 74239423) is 2-(pyrrolidin-1-ylmethyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(pyrrolidin-1-ylmethyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(pyrrolidin-1-ylmethyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide is O=C(NCc1cccc(N2CCCC2)c1)c1cnc(CN2CCCC2)s1.
What is the InChIKey of 2-(pyrrolidin-1-ylmethyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is BVHCEZHIILUMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4OS/c25-20(18-14-21-19(26-18)15-23-8-1-2-9-23)22-13-16-6-5-7-17(12-16)24-10-3-4-11-24/h5-7,12,14H,1-4,8-11,13,15H2,(H,22,25).
What are the key properties of 2-(pyrrolidin-1-ylmethyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide?
2-(pyrrolidin-1-ylmethyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 370.52 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-1-ylmethyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 74239423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).