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

C13H22N4OS2 — CID 116673551

IUPAC4-amino-2-(tert-butylamino)-N-(thian-4-yl)-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)Nc1nc(N)c(C(=O)NC2CCSCC2)s1
InChIInChI=1S/C13H22N4OS2/c1-13(2,3)17-12-16-10(14)9(20-12)11(18)15-8-4-6-19-7-5-8/h8H,4-7,14H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyIZDGTIQZMBWVIV-UHFFFAOYSA-N
MW314.48 g/mol
LogP2.56
Rot. Bonds3

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

4-amino-2-(tert-butylamino)-N-(thian-4-yl)-1,3-thiazole-5-carboxamide (PubChem CID 116673551) has the molecular formula C13H22N4OS2 and a molecular weight of 314.48 g/mol. Its IUPAC name is 4-amino-2-(tert-butylamino)-N-(thian-4-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(tert-butylamino)-N-(thian-4-yl)-1,3-thiazole-5-carboxamide
PubChem CID116673551
Molecular FormulaC13H22N4OS2
Molecular Weight314.48 g/mol
Exact Mass314.12
IUPAC Name4-amino-2-(tert-butylamino)-N-(thian-4-yl)-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)Nc1nc(N)c(C(=O)NC2CCSCC2)s1
InChIInChI=1S/C13H22N4OS2/c1-13(2,3)17-12-16-10(14)9(20-12)11(18)15-8-4-6-19-7-5-8/h8H,4-7,14H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyIZDGTIQZMBWVIV-UHFFFAOYSA-N
XLogP2.56
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-(tert-butylamino)-N-piperidin-4-yl-1,3-thiazole-5-carboxamide
CID 116662923
4-amino-2-(tert-butylamino)-N-(3-methylcyclobutyl)-1,3-thiazole-5-carboxamide
CID 116673285
4-amino-2-(tert-butylamino)-N-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide
CID 116670296
[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-thiomorpholin-4-ylmethanone
CID 116669102
4-amino-N-cyclobutyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116665374
4-amino-N-cyclopropyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116667655
4-amino-2-(cyclobutylamino)-N-cyclopropyl-1,3-thiazole-5-carboxamide
CID 116667658
4-amino-N-cyclopentyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116667691
4-amino-2-(tert-butylamino)-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide
CID 116666516
4-amino-2-(tert-butylamino)-N-cyclopentyl-N-methyl-1,3-thiazole-5-carboxamide
CID 116669495
[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 116667391
4-amino-2-(cyclopropylamino)-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
CID 116669844

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(tert-butylamino)-N-(thian-4-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(tert-butylamino)-N-(thian-4-yl)-1,3-thiazole-5-carboxamide (CID 116673551) is 4-amino-2-(tert-butylamino)-N-(thian-4-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(tert-butylamino)-N-(thian-4-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(tert-butylamino)-N-(thian-4-yl)-1,3-thiazole-5-carboxamide is CC(C)(C)Nc1nc(N)c(C(=O)NC2CCSCC2)s1.
What is the InChIKey of 4-amino-2-(tert-butylamino)-N-(thian-4-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is IZDGTIQZMBWVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS2/c1-13(2,3)17-12-16-10(14)9(20-12)11(18)15-8-4-6-19-7-5-8/h8H,4-7,14H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 4-amino-2-(tert-butylamino)-N-(thian-4-yl)-1,3-thiazole-5-carboxamide?
4-amino-2-(tert-butylamino)-N-(thian-4-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 314.48 g/mol, XLogP of 2.56, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(tert-butylamino)-N-(thian-4-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116673551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).