N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1,2-dimethylpyrrole-3-carboxamide

C15H21N3OS — CID 122562326

IUPACN-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1,2-dimethylpyrrole-3-carboxamide
SMILESCc1c(C(=O)NCc2nc(C(C)(C)C)cs2)ccn1C
InChIInChI=1S/C15H21N3OS/c1-10-11(6-7-18(10)5)14(19)16-8-13-17-12(9-20-13)15(2,3)4/h6-7,9H,8H2,1-5H3,(H,16,19)
InChIKeyFDRCGIXKJUIPSH-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.02
Rot. Bonds3

About N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1,2-dimethylpyrrole-3-carboxamide

N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1,2-dimethylpyrrole-3-carboxamide (PubChem CID 122562326) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1,2-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1,2-dimethylpyrrole-3-carboxamide
PubChem CID122562326
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC NameN-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1,2-dimethylpyrrole-3-carboxamide
SMILESCc1c(C(=O)NCc2nc(C(C)(C)C)cs2)ccn1C
InChIInChI=1S/C15H21N3OS/c1-10-11(6-7-18(10)5)14(19)16-8-13-17-12(9-20-13)15(2,3)4/h6-7,9H,8H2,1-5H3,(H,16,19)
InChIKeyFDRCGIXKJUIPSH-UHFFFAOYSA-N
XLogP3.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]benzamide
CID 119878887
3-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-5-carboxamide
CID 122572146
4-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]butanamide
CID 119878910
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-(2-ethyl-2-hydroxybutyl)urea
CID 111104399
1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrole-2-carboxamide
CID 110467008
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-ethyl-6-oxo-1H-pyridine-4-carboxamide
CID 118769382
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]urea
CID 129397802
5-(acetamidomethyl)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 154754463
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 68553109
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 118796187
2,4-difluoro-5-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 122145800
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-(methylamino)butanamide;dihydrochloride
CID 119878856

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1,2-dimethylpyrrole-3-carboxamide?
The IUPAC name of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1,2-dimethylpyrrole-3-carboxamide (CID 122562326) is N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1,2-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1,2-dimethylpyrrole-3-carboxamide?
The canonical SMILES for N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1,2-dimethylpyrrole-3-carboxamide is Cc1c(C(=O)NCc2nc(C(C)(C)C)cs2)ccn1C.
What is the InChIKey of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1,2-dimethylpyrrole-3-carboxamide?
The InChIKey is FDRCGIXKJUIPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-10-11(6-7-18(10)5)14(19)16-8-13-17-12(9-20-13)15(2,3)4/h6-7,9H,8H2,1-5H3,(H,16,19).
What are the key properties of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1,2-dimethylpyrrole-3-carboxamide?
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1,2-dimethylpyrrole-3-carboxamide has a molecular weight of 291.42 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1,2-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 122562326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).