4-amino-2-(dimethylamino)-N-(1-oxothian-4-yl)-1,3-thiazole-5-carboxamide

C11H18N4O2S2 — CID 116672909

IUPAC4-amino-2-(dimethylamino)-N-(1-oxothian-4-yl)-1,3-thiazole-5-carboxamide
SMILESCN(C)c1nc(N)c(C(=O)NC2CCS(=O)CC2)s1
InChIInChI=1S/C11H18N4O2S2/c1-15(2)11-14-9(12)8(18-11)10(16)13-7-3-5-19(17)6-4-7/h7H,3-6,12H2,1-2H3,(H,13,16)
InChIKeyXAJSIEOXQDGXQF-UHFFFAOYSA-N
MW302.43 g/mol
LogP0.43
Rot. Bonds3

About 4-amino-2-(dimethylamino)-N-(1-oxothian-4-yl)-1,3-thiazole-5-carboxamide

4-amino-2-(dimethylamino)-N-(1-oxothian-4-yl)-1,3-thiazole-5-carboxamide (PubChem CID 116672909) has the molecular formula C11H18N4O2S2 and a molecular weight of 302.43 g/mol. Its IUPAC name is 4-amino-2-(dimethylamino)-N-(1-oxothian-4-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(dimethylamino)-N-(1-oxothian-4-yl)-1,3-thiazole-5-carboxamide
PubChem CID116672909
Molecular FormulaC11H18N4O2S2
Molecular Weight302.43 g/mol
Exact Mass302.09
IUPAC Name4-amino-2-(dimethylamino)-N-(1-oxothian-4-yl)-1,3-thiazole-5-carboxamide
SMILESCN(C)c1nc(N)c(C(=O)NC2CCS(=O)CC2)s1
InChIInChI=1S/C11H18N4O2S2/c1-15(2)11-14-9(12)8(18-11)10(16)13-7-3-5-19(17)6-4-7/h7H,3-6,12H2,1-2H3,(H,13,16)
InChIKeyXAJSIEOXQDGXQF-UHFFFAOYSA-N
XLogP0.43
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(2-cyclopropylethyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116667320
4-amino-2-(dimethylamino)-N-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-thiazole-5-carboxamide
CID 116671038
4-amino-2-(diethylamino)-N-(oxan-4-yl)-1,3-thiazole-5-carboxamide
CID 116670476
4-amino-2-(diethylamino)-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
CID 116669839
4-amino-N,N-bis(cyclopropylmethyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116666777
4-amino-N-[2-(carbamoylamino)ethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116672314
4-amino-N-cyclopent-3-en-1-yl-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 116673262
4-amino-2-(dimethylamino)-N-[(4-hydroxycyclohexyl)methyl]-1,3-thiazole-5-carboxamide
CID 106138902
4-amino-N-(1,2-dimethylpiperidin-4-yl)-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 116671810
4-amino-2-(dimethylamino)-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide
CID 116666526
2-[[4-amino-2-(dimethylamino)-1,3-thiazole-5-carbonyl]amino]ethyl carbamate
CID 116672210
4-amino-2-(dimethylamino)-N-(6-hydroxyhexyl)-1,3-thiazole-5-carboxamide
CID 107855741

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(dimethylamino)-N-(1-oxothian-4-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(dimethylamino)-N-(1-oxothian-4-yl)-1,3-thiazole-5-carboxamide (CID 116672909) is 4-amino-2-(dimethylamino)-N-(1-oxothian-4-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(dimethylamino)-N-(1-oxothian-4-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(dimethylamino)-N-(1-oxothian-4-yl)-1,3-thiazole-5-carboxamide is CN(C)c1nc(N)c(C(=O)NC2CCS(=O)CC2)s1.
What is the InChIKey of 4-amino-2-(dimethylamino)-N-(1-oxothian-4-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is XAJSIEOXQDGXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S2/c1-15(2)11-14-9(12)8(18-11)10(16)13-7-3-5-19(17)6-4-7/h7H,3-6,12H2,1-2H3,(H,13,16).
What are the key properties of 4-amino-2-(dimethylamino)-N-(1-oxothian-4-yl)-1,3-thiazole-5-carboxamide?
4-amino-2-(dimethylamino)-N-(1-oxothian-4-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 302.43 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(dimethylamino)-N-(1-oxothian-4-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116672909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).