2-tert-butyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]-1,3-thiazole-5-carboxamide

C19H24N4O2S — CID 47890716

IUPAC2-tert-butyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)c1ncc(C(=O)Nc2ccccc2NC(=O)N2CCCC2)s1
InChIInChI=1S/C19H24N4O2S/c1-19(2,3)17-20-12-15(26-17)16(24)21-13-8-4-5-9-14(13)22-18(25)23-10-6-7-11-23/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyPJKZHFLFRCRKIF-UHFFFAOYSA-N
MW372.49 g/mol
LogP4.32
Rot. Bonds3

About 2-tert-butyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]-1,3-thiazole-5-carboxamide

2-tert-butyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 47890716) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 2-tert-butyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID47890716
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name2-tert-butyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)c1ncc(C(=O)Nc2ccccc2NC(=O)N2CCCC2)s1
InChIInChI=1S/C19H24N4O2S/c1-19(2,3)17-20-12-15(26-17)16(24)21-13-8-4-5-9-14(13)22-18(25)23-10-6-7-11-23/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyPJKZHFLFRCRKIF-UHFFFAOYSA-N
XLogP4.32
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(azepan-1-yl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 71881060
1-(2-tert-butyl-1,3-thiazole-5-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 47892218
4-methyl-2-N-[2-(pyrrolidine-1-carbonylamino)phenyl]pyridine-2,5-dicarboxamide
CID 136545651
N-(2-methylphenyl)azepane-1-carboxamide
CID 19165583
1-[(2-tert-butyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 56799138
1-methyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]indole-3-carboxamide
CID 55736422
N-[2-[(3-amino-3-phenylpropanoyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 119950213
N-[2-[(3,5-ditert-butyl-4-hydroxybenzoyl)amino]phenyl]-4-methylpiperazine-1-carboxamide
CID 23370068
N-(2-acetylphenyl)pyrrolidine-1-carboxamide
CID 112724111
2-[2-(pyrrolidine-1-carbonylamino)phenyl]acetic acid
CID 62536138
2-tert-butyl-N-[3-(cyclopropanecarbonylamino)-4-fluorophenyl]-1,3-thiazole-5-carboxamide
CID 47073746
N-[2-[(5-bromofuran-2-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 55972451

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]-1,3-thiazole-5-carboxamide (CID 47890716) is 2-tert-butyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]-1,3-thiazole-5-carboxamide is CC(C)(C)c1ncc(C(=O)Nc2ccccc2NC(=O)N2CCCC2)s1.
What is the InChIKey of 2-tert-butyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is PJKZHFLFRCRKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-19(2,3)17-20-12-15(26-17)16(24)21-13-8-4-5-9-14(13)22-18(25)23-10-6-7-11-23/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of 2-tert-butyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]-1,3-thiazole-5-carboxamide?
2-tert-butyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47890716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).