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

C10H16N4O3S2 — CID 116666456

IUPAC4-amino-N-(1,1-dioxothian-3-yl)-2-(methylamino)-1,3-thiazole-5-carboxamide
SMILESCNc1nc(N)c(C(=O)NC2CCCS(=O)(=O)C2)s1
InChIInChI=1S/C10H16N4O3S2/c1-12-10-14-8(11)7(18-10)9(15)13-6-3-2-4-19(16,17)5-6/h6H,2-5,11H2,1H3,(H,12,14)(H,13,15)
InChIKeyQVKLTCANPBEUPH-UHFFFAOYSA-N
MW304.40 g/mol
LogP0.07
Rot. Bonds3

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

4-amino-N-(1,1-dioxothian-3-yl)-2-(methylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116666456) has the molecular formula C10H16N4O3S2 and a molecular weight of 304.40 g/mol. Its IUPAC name is 4-amino-N-(1,1-dioxothian-3-yl)-2-(methylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1,1-dioxothian-3-yl)-2-(methylamino)-1,3-thiazole-5-carboxamide
PubChem CID116666456
Molecular FormulaC10H16N4O3S2
Molecular Weight304.40 g/mol
Exact Mass304.07
IUPAC Name4-amino-N-(1,1-dioxothian-3-yl)-2-(methylamino)-1,3-thiazole-5-carboxamide
SMILESCNc1nc(N)c(C(=O)NC2CCCS(=O)(=O)C2)s1
InChIInChI=1S/C10H16N4O3S2/c1-12-10-14-8(11)7(18-10)9(15)13-6-3-2-4-19(16,17)5-6/h6H,2-5,11H2,1H3,(H,12,14)(H,13,15)
InChIKeyQVKLTCANPBEUPH-UHFFFAOYSA-N
XLogP0.07
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-N-(1,1-dioxothian-3-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116666460
4-amino-2-(methylamino)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-5-carboxamide
CID 45107290
4-amino-2-(cyclobutylamino)-N-cyclopropyl-1,3-thiazole-5-carboxamide
CID 116667658
4-amino-N-cyclobutyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116665374
4-amino-N-[2-(hydroxymethyl)cyclohexyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 106368446
N-cyclohexyl-4-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 110386309
4-amino-N-(2-cyclopropylethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116667308
4-amino-N-cyclopentyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116667691
4-amino-N-(4,4-dimethylcyclohexyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116666865
3-amino-N-(1,1-dioxothian-3-yl)-1H-1,2,4-triazole-5-carboxamide
CID 63923924
4-amino-2-(cyclopropylamino)-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
CID 116669844
4-amino-2-(methylamino)-N-[2-(3-methylcyclohexyl)ethyl]-1,3-thiazole-5-carboxamide
CID 116666781

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,1-dioxothian-3-yl)-2-(methylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(1,1-dioxothian-3-yl)-2-(methylamino)-1,3-thiazole-5-carboxamide (CID 116666456) is 4-amino-N-(1,1-dioxothian-3-yl)-2-(methylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(1,1-dioxothian-3-yl)-2-(methylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(1,1-dioxothian-3-yl)-2-(methylamino)-1,3-thiazole-5-carboxamide is CNc1nc(N)c(C(=O)NC2CCCS(=O)(=O)C2)s1.
What is the InChIKey of 4-amino-N-(1,1-dioxothian-3-yl)-2-(methylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is QVKLTCANPBEUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3S2/c1-12-10-14-8(11)7(18-10)9(15)13-6-3-2-4-19(16,17)5-6/h6H,2-5,11H2,1H3,(H,12,14)(H,13,15).
What are the key properties of 4-amino-N-(1,1-dioxothian-3-yl)-2-(methylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-(1,1-dioxothian-3-yl)-2-(methylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 304.40 g/mol, XLogP of 0.07, 3 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-(methylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116666456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).