N-[2,6-di(propan-2-yl)phenyl]-2-pyridin-4-yl-1,3-thiazolidine-3-carboxamide

C21H27N3OS — CID 4122969

IUPACN-[2,6-di(propan-2-yl)phenyl]-2-pyridin-4-yl-1,3-thiazolidine-3-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)N1CCSC1c1ccncc1
InChIInChI=1S/C21H27N3OS/c1-14(2)17-6-5-7-18(15(3)4)19(17)23-21(25)24-12-13-26-20(24)16-8-10-22-11-9-16/h5-11,14-15,20H,12-13H2,1-4H3,(H,23,25)
InChIKeyHGJJWXDTQSMDTC-UHFFFAOYSA-N
MW369.53 g/mol
LogP5.61
Rot. Bonds4

About N-[2,6-di(propan-2-yl)phenyl]-2-pyridin-4-yl-1,3-thiazolidine-3-carboxamide

N-[2,6-di(propan-2-yl)phenyl]-2-pyridin-4-yl-1,3-thiazolidine-3-carboxamide (PubChem CID 4122969) has the molecular formula C21H27N3OS and a molecular weight of 369.53 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2-pyridin-4-yl-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-2-pyridin-4-yl-1,3-thiazolidine-3-carboxamide
PubChem CID4122969
Molecular FormulaC21H27N3OS
Molecular Weight369.53 g/mol
Exact Mass369.19
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-2-pyridin-4-yl-1,3-thiazolidine-3-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)N1CCSC1c1ccncc1
InChIInChI=1S/C21H27N3OS/c1-14(2)17-6-5-7-18(15(3)4)19(17)23-21(25)24-12-13-26-20(24)16-8-10-22-11-9-16/h5-11,14-15,20H,12-13H2,1-4H3,(H,23,25)
InChIKeyHGJJWXDTQSMDTC-UHFFFAOYSA-N
XLogP5.61
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.53
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide
CID 5077872
(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2,6-di(propan-2-yl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 93115048
2-(2,4-dichlorophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 3418424
(2R)-2-(3-chlorophenyl)-N-(2,6-dichlorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7226698
(2R)-N-(2,6-dichlorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7283743
(2R)-N-(2,6-dichlorophenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025688
N-(4-propan-2-ylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 3300468
(2R)-N-(2-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025816
2-(4-fluorophenyl)-N-(3-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 4572724
N-(2-ethoxyphenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide
CID 4145535
2-(3-methoxyphenyl)-N-(2-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 86264803
N-(3,4-dimethylphenyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carboxamide
CID 4568758

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-pyridin-4-yl-1,3-thiazolidine-3-carboxamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-pyridin-4-yl-1,3-thiazolidine-3-carboxamide (CID 4122969) is N-[2,6-di(propan-2-yl)phenyl]-2-pyridin-4-yl-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-2-pyridin-4-yl-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2-pyridin-4-yl-1,3-thiazolidine-3-carboxamide is CC(C)c1cccc(C(C)C)c1NC(=O)N1CCSC1c1ccncc1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-2-pyridin-4-yl-1,3-thiazolidine-3-carboxamide?
The InChIKey is HGJJWXDTQSMDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3OS/c1-14(2)17-6-5-7-18(15(3)4)19(17)23-21(25)24-12-13-26-20(24)16-8-10-22-11-9-16/h5-11,14-15,20H,12-13H2,1-4H3,(H,23,25).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2-pyridin-4-yl-1,3-thiazolidine-3-carboxamide?
N-[2,6-di(propan-2-yl)phenyl]-2-pyridin-4-yl-1,3-thiazolidine-3-carboxamide has a molecular weight of 369.53 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-2-pyridin-4-yl-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 4122969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).