4-amino-N-(1,1-dioxothian-3-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide

C12H20N4O3S2 — CID 116666460

IUPAC4-amino-N-(1,1-dioxothian-3-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide
SMILESCCCNc1nc(N)c(C(=O)NC2CCCS(=O)(=O)C2)s1
InChIInChI=1S/C12H20N4O3S2/c1-2-5-14-12-16-10(13)9(20-12)11(17)15-8-4-3-6-21(18,19)7-8/h8H,2-7,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyZZHBTQZJWFYNSJ-UHFFFAOYSA-N
MW332.45 g/mol
LogP0.85
Rot. Bonds5

About 4-amino-N-(1,1-dioxothian-3-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide

4-amino-N-(1,1-dioxothian-3-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116666460) has the molecular formula C12H20N4O3S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-amino-N-(1,1-dioxothian-3-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1,1-dioxothian-3-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide
PubChem CID116666460
Molecular FormulaC12H20N4O3S2
Molecular Weight332.45 g/mol
Exact Mass332.10
IUPAC Name4-amino-N-(1,1-dioxothian-3-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide
SMILESCCCNc1nc(N)c(C(=O)NC2CCCS(=O)(=O)C2)s1
InChIInChI=1S/C12H20N4O3S2/c1-2-5-14-12-16-10(13)9(20-12)11(17)15-8-4-3-6-21(18,19)7-8/h8H,2-7,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyZZHBTQZJWFYNSJ-UHFFFAOYSA-N
XLogP0.85
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-N-(1,1-dioxothian-3-yl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116666456
4-amino-N-cyclobutyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116665374
4-amino-N-(3,5-dimethylcyclohexyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116667071
4-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116664088
4-amino-N-cyclopentyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116667691
4-amino-N-[(4-methylcyclohexyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116665988
4-amino-N-[(2-hydroxycyclopentyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116663544
N-(1,1-dioxothian-3-yl)-5-(propylamino)pyridine-2-carboxamide
CID 104641420
4-amino-N-(oxolan-2-ylmethyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116668901
4-amino-N-cyclopropyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116667655
4-amino-N-[2-(oxolan-2-yl)ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116664626
4-amino-2-(cyclobutylamino)-N-cyclopropyl-1,3-thiazole-5-carboxamide
CID 116667658

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,1-dioxothian-3-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(1,1-dioxothian-3-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide (CID 116666460) is 4-amino-N-(1,1-dioxothian-3-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(1,1-dioxothian-3-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(1,1-dioxothian-3-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide is CCCNc1nc(N)c(C(=O)NC2CCCS(=O)(=O)C2)s1.
What is the InChIKey of 4-amino-N-(1,1-dioxothian-3-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is ZZHBTQZJWFYNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S2/c1-2-5-14-12-16-10(13)9(20-12)11(17)15-8-4-3-6-21(18,19)7-8/h8H,2-7,13H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 4-amino-N-(1,1-dioxothian-3-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-(1,1-dioxothian-3-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,1-dioxothian-3-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116666460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).