4-amino-2-(tert-butylamino)-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide

C15H20N4OS — CID 116668999

IUPAC4-amino-2-(tert-butylamino)-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccccc1NC(=O)c1sc(NC(C)(C)C)nc1N
InChIInChI=1S/C15H20N4OS/c1-9-7-5-6-8-10(9)17-13(20)11-12(16)18-14(21-11)19-15(2,3)4/h5-8H,16H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyNRZOSYMIAPTELI-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.50
Rot. Bonds3

About 4-amino-2-(tert-butylamino)-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide

4-amino-2-(tert-butylamino)-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 116668999) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-amino-2-(tert-butylamino)-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(tert-butylamino)-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID116668999
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name4-amino-2-(tert-butylamino)-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccccc1NC(=O)c1sc(NC(C)(C)C)nc1N
InChIInChI=1S/C15H20N4OS/c1-9-7-5-6-8-10(9)17-13(20)11-12(16)18-14(21-11)19-15(2,3)4/h5-8H,16H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyNRZOSYMIAPTELI-UHFFFAOYSA-N
XLogP3.50
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-(tert-butylamino)-N-phenyl-1,3-thiazole-5-carboxamide
CID 116667442
4-amino-N-benzyl-2-(tert-butylamino)-1,3-thiazole-5-carboxamide
CID 116668033
4-amino-2-[ethyl(methyl)amino]-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116668996
4-amino-2-(tert-butylamino)-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116668709
4-amino-N-(2,5-dimethylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116668356
4-amino-N-(2,4-dimethylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116668417
4-amino-2-(tert-butylamino)-N-[(5-methylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116665116
tert-butyl N-[4-methyl-5-[(2-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]carbamate
CID 11290976
4-amino-2-anilino-N-(5-chloro-2-methylphenyl)-1,3-thiazole-5-carboxamide
CID 23102164
4-amino-N-(2-bromophenyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116668499
4-amino-N-(2-methylsulfanylphenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 107647427
3-amino-6-methyl-N-(2-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23888932

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(tert-butylamino)-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(tert-butylamino)-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide (CID 116668999) is 4-amino-2-(tert-butylamino)-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(tert-butylamino)-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(tert-butylamino)-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide is Cc1ccccc1NC(=O)c1sc(NC(C)(C)C)nc1N.
What is the InChIKey of 4-amino-2-(tert-butylamino)-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is NRZOSYMIAPTELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-9-7-5-6-8-10(9)17-13(20)11-12(16)18-14(21-11)19-15(2,3)4/h5-8H,16H2,1-4H3,(H,17,20)(H,18,19).
What are the key properties of 4-amino-2-(tert-butylamino)-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide?
4-amino-2-(tert-butylamino)-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 3.50, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(tert-butylamino)-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116668999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).