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

C14H18N4OS — CID 116667442

IUPAC4-amino-2-(tert-butylamino)-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)Nc1nc(N)c(C(=O)Nc2ccccc2)s1
InChIInChI=1S/C14H18N4OS/c1-14(2,3)18-13-17-11(15)10(20-13)12(19)16-9-7-5-4-6-8-9/h4-8H,15H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyTXLNPXPGQHYCGG-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.19
Rot. Bonds3

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

4-amino-2-(tert-butylamino)-N-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 116667442) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 4-amino-2-(tert-butylamino)-N-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(tert-butylamino)-N-phenyl-1,3-thiazole-5-carboxamide
PubChem CID116667442
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name4-amino-2-(tert-butylamino)-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)Nc1nc(N)c(C(=O)Nc2ccccc2)s1
InChIInChI=1S/C14H18N4OS/c1-14(2,3)18-13-17-11(15)10(20-13)12(19)16-9-7-5-4-6-8-9/h4-8H,15H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyTXLNPXPGQHYCGG-UHFFFAOYSA-N
XLogP3.19
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-(tert-butylamino)-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116668999
4-amino-N-benzyl-2-(tert-butylamino)-1,3-thiazole-5-carboxamide
CID 116668033
4-amino-2-(tert-butylamino)-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116668709
4-amino-2-anilino-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 44621369
2-(tert-butylamino)-N-phenyl-1,3-thiazole-5-carboxamide
CID 122693201
4-amino-N-(4-iodophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116669239
4-amino-2-(tert-butylamino)-N-[(5-methylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116665116
4-amino-2-(ethylamino)-N-(3-ethylphenyl)-1,3-thiazole-5-carboxamide
CID 116668766
2-amino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 735558
4-amino-2-(tert-butylamino)-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide
CID 116666516
4-amino-2-(tert-butylamino)-N-(3-methylcyclobutyl)-1,3-thiazole-5-carboxamide
CID 116673285
4-amino-2-(methylamino)-N-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 116671061

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(tert-butylamino)-N-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(tert-butylamino)-N-phenyl-1,3-thiazole-5-carboxamide (CID 116667442) is 4-amino-2-(tert-butylamino)-N-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(tert-butylamino)-N-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(tert-butylamino)-N-phenyl-1,3-thiazole-5-carboxamide is CC(C)(C)Nc1nc(N)c(C(=O)Nc2ccccc2)s1.
What is the InChIKey of 4-amino-2-(tert-butylamino)-N-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is TXLNPXPGQHYCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-14(2,3)18-13-17-11(15)10(20-13)12(19)16-9-7-5-4-6-8-9/h4-8H,15H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 4-amino-2-(tert-butylamino)-N-phenyl-1,3-thiazole-5-carboxamide?
4-amino-2-(tert-butylamino)-N-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 3.19, 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-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116667442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).