5-(methylcarbamoylamino)-3-propan-2-ylsulfanyl-1,2-thiazole-4-carboxamide

C9H14N4O2S2 — CID 18550161

IUPAC5-(methylcarbamoylamino)-3-propan-2-ylsulfanyl-1,2-thiazole-4-carboxamide
SMILESCNC(=O)Nc1snc(SC(C)C)c1C(N)=O
InChIInChI=1S/C9H14N4O2S2/c1-4(2)16-8-5(6(10)14)7(17-13-8)12-9(15)11-3/h4H,1-3H3,(H2,10,14)(H2,11,12,15)
InChIKeyBWBOZLVPMOSDEO-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.49
Rot. Bonds4

About 5-(methylcarbamoylamino)-3-propan-2-ylsulfanyl-1,2-thiazole-4-carboxamide

5-(methylcarbamoylamino)-3-propan-2-ylsulfanyl-1,2-thiazole-4-carboxamide (PubChem CID 18550161) has the molecular formula C9H14N4O2S2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 5-(methylcarbamoylamino)-3-propan-2-ylsulfanyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-(methylcarbamoylamino)-3-propan-2-ylsulfanyl-1,2-thiazole-4-carboxamide
PubChem CID18550161
Molecular FormulaC9H14N4O2S2
Molecular Weight274.37 g/mol
Exact Mass274.06
IUPAC Name5-(methylcarbamoylamino)-3-propan-2-ylsulfanyl-1,2-thiazole-4-carboxamide
SMILESCNC(=O)Nc1snc(SC(C)C)c1C(N)=O
InChIInChI=1S/C9H14N4O2S2/c1-4(2)16-8-5(6(10)14)7(17-13-8)12-9(15)11-3/h4H,1-3H3,(H2,10,14)(H2,11,12,15)
InChIKeyBWBOZLVPMOSDEO-UHFFFAOYSA-N
XLogP1.49
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethylsulfanyl-5-(methylcarbamoylamino)-1,2-thiazole-4-carboxamide
CID 18550614
5-(methylcarbamoylamino)-3-pentan-2-yl-1,2-thiazole-4-carboxamide
CID 134096897
5-(ethylcarbamoylamino)-3-ethylsulfanyl-1,2-thiazole-4-carboxamide
CID 54377306
5-(dimethylcarbamoylamino)-3-(4-methylpentylsulfanyl)-1,2-thiazole-4-carboxamide
CID 54260790
3-hexylsulfanyl-5-(2-hydroxypropylcarbamoylamino)-1,2-thiazole-4-carboxamide
CID 54426527
3-methyl-5-(3-methylbutanoylamino)-1,2-thiazole-4-carboxamide
CID 54757315
5-(methylcarbamoylamino)-3-(naphthalen-2-ylmethylsulfanyl)-1,2-thiazole-4-carboxylic acid
CID 141014741
5-(cyclopropylmethylcarbamoylamino)-3-[(3,4-dimethylphenyl)methylsulfanyl]-1,2-thiazole-4-carboxamide
CID 54255455
5-[(3,4-difluorophenyl)methylcarbamoylamino]-3-[(4-methylphenyl)methylsulfanyl]-1,2-thiazole-4-carboxamide
CID 54406706
5-[(5-methylfuran-2-yl)methylcarbamoylamino]-3-pentylsulfanyl-1,2-thiazole-4-carboxamide
CID 68510966
4-hexylsulfanyl-2-(methylcarbamoylamino)thiophene-3-carboxamide;methane
CID 159481450
3-benzylsulfanyl-5-(3-pyrrolidin-1-ylpropylcarbamoylamino)-1,2-thiazole-4-carboxamide
CID 54309791

Frequently Asked Questions

What is the IUPAC name of 5-(methylcarbamoylamino)-3-propan-2-ylsulfanyl-1,2-thiazole-4-carboxamide?
The IUPAC name of 5-(methylcarbamoylamino)-3-propan-2-ylsulfanyl-1,2-thiazole-4-carboxamide (CID 18550161) is 5-(methylcarbamoylamino)-3-propan-2-ylsulfanyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 5-(methylcarbamoylamino)-3-propan-2-ylsulfanyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 5-(methylcarbamoylamino)-3-propan-2-ylsulfanyl-1,2-thiazole-4-carboxamide is CNC(=O)Nc1snc(SC(C)C)c1C(N)=O.
What is the InChIKey of 5-(methylcarbamoylamino)-3-propan-2-ylsulfanyl-1,2-thiazole-4-carboxamide?
The InChIKey is BWBOZLVPMOSDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S2/c1-4(2)16-8-5(6(10)14)7(17-13-8)12-9(15)11-3/h4H,1-3H3,(H2,10,14)(H2,11,12,15).
What are the key properties of 5-(methylcarbamoylamino)-3-propan-2-ylsulfanyl-1,2-thiazole-4-carboxamide?
5-(methylcarbamoylamino)-3-propan-2-ylsulfanyl-1,2-thiazole-4-carboxamide has a molecular weight of 274.37 g/mol, XLogP of 1.49, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylcarbamoylamino)-3-propan-2-ylsulfanyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 18550161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).