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

C15H20N4OS — CID 116668033

IUPAC4-amino-N-benzyl-2-(tert-butylamino)-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)Nc1nc(N)c(C(=O)NCc2ccccc2)s1
InChIInChI=1S/C15H20N4OS/c1-15(2,3)19-14-18-12(16)11(21-14)13(20)17-9-10-7-5-4-6-8-10/h4-8H,9,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyZPMNFGLDELGXLF-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.87
Rot. Bonds4

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

4-amino-N-benzyl-2-(tert-butylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116668033) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-amino-N-benzyl-2-(tert-butylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-benzyl-2-(tert-butylamino)-1,3-thiazole-5-carboxamide
PubChem CID116668033
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name4-amino-N-benzyl-2-(tert-butylamino)-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)Nc1nc(N)c(C(=O)NCc2ccccc2)s1
InChIInChI=1S/C15H20N4OS/c1-15(2,3)19-14-18-12(16)11(21-14)13(20)17-9-10-7-5-4-6-8-10/h4-8H,9,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyZPMNFGLDELGXLF-UHFFFAOYSA-N
XLogP2.87
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-(tert-butylamino)-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116668709
4-amino-2-(tert-butylamino)-N-phenyl-1,3-thiazole-5-carboxamide
CID 116667442
4-amino-2-(tert-butylamino)-N-[(5-methylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116665116
4-amino-2-(tert-butylamino)-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116668999
4-amino-2-(tert-butylamino)-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide
CID 116666516
4-amino-2-(benzylamino)-1,3-thiazole-5-carboxamide
CID 50741983
4-amino-2-(ethylamino)-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 116668197
4-amino-2-(tert-butylamino)-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-carboxamide
CID 106174586
4-amino-2-(tert-butylamino)-N-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 116670268
4-amino-2-(tert-butylamino)-N-[2-(2-hydroxyethoxy)ethyl]-1,3-thiazole-5-carboxamide
CID 116665457
4-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(tert-butylamino)-1,3-thiazole-5-carboxamide
CID 106242080
4-amino-2-(tert-butylamino)-N-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide
CID 116670296

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-benzyl-2-(tert-butylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-benzyl-2-(tert-butylamino)-1,3-thiazole-5-carboxamide (CID 116668033) is 4-amino-N-benzyl-2-(tert-butylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-benzyl-2-(tert-butylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-benzyl-2-(tert-butylamino)-1,3-thiazole-5-carboxamide is CC(C)(C)Nc1nc(N)c(C(=O)NCc2ccccc2)s1.
What is the InChIKey of 4-amino-N-benzyl-2-(tert-butylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is ZPMNFGLDELGXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-15(2,3)19-14-18-12(16)11(21-14)13(20)17-9-10-7-5-4-6-8-10/h4-8H,9,16H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 4-amino-N-benzyl-2-(tert-butylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-benzyl-2-(tert-butylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 2.87, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-benzyl-2-(tert-butylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116668033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).