2-methylbutane;2-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-1,3-thiazole-4-carboxamide

C14H22N2OS2 — CID 143597264

IUPAC2-methylbutane;2-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-1,3-thiazole-4-carboxamide
SMILESC=C(S/C=C\C)c1nc(C(N)=O)cs1.CCC(C)C
InChIInChI=1S/C9H10N2OS2.C5H12/c1-3-4-13-6(2)9-11-7(5-14-9)8(10)12;1-4-5(2)3/h3-5H,2H2,1H3,(H2,10,12);5H,4H2,1-3H3/b4-3-;
InChIKeyXOOUUWDQOQHFQL-LNKPDPKZSA-N
MW298.48 g/mol
LogP4.53
Rot. Bonds5

About 2-methylbutane;2-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-1,3-thiazole-4-carboxamide

2-methylbutane;2-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-1,3-thiazole-4-carboxamide (PubChem CID 143597264) has the molecular formula C14H22N2OS2 and a molecular weight of 298.48 g/mol. Its IUPAC name is 2-methylbutane;2-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-methylbutane;2-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-1,3-thiazole-4-carboxamide
PubChem CID143597264
Molecular FormulaC14H22N2OS2
Molecular Weight298.48 g/mol
Exact Mass298.12
IUPAC Name2-methylbutane;2-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-1,3-thiazole-4-carboxamide
SMILESC=C(S/C=C\C)c1nc(C(N)=O)cs1.CCC(C)C
InChIInChI=1S/C9H10N2OS2.C5H12/c1-3-4-13-6(2)9-11-7(5-14-9)8(10)12;1-4-5(2)3/h3-5H,2H2,1H3,(H2,10,12);5H,4H2,1-3H3/b4-3-;
InChIKeyXOOUUWDQOQHFQL-LNKPDPKZSA-N
XLogP4.53
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.48
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1S,2S)-1-amino-2-methylbutyl]-1,3-thiazole-4-carboxamide
CID 68749134
2-[(Z)-prop-1-enyl]-1,3-thiazole-4-carboxamide
CID 59217959
2-[(2R,4R)-4,5-dimethylhexan-2-yl]-1,3-thiazole-4-carboxamide
CID 163734386
2-[(2R)-4-amino-2-methyl-4-oxobutyl]-1,3-thiazole-4-carboxamide
CID 173107724
2-[[2-(2-methylpropyl)morpholin-4-yl]methyl]-1,3-thiazole-4-carboxamide
CID 90104342
4-ethyl-1,3-thiazole-2-carboxylic acid
CID 39235458
2-[methyl(pentan-3-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696720
2-(pentylamino)-1,3-thiazole-4-carboxamide
CID 69456979
2-[(E,3S)-3,4-dihydroxybut-1-enyl]-1,3-thiazole-4-carboxamide
CID 77050763
2-(morpholine-4-carbonyl)-1,3-thiazole-4-carboxamide
CID 174869573
2-[2-methylpropyl(propan-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696928
ethyl 4-[1-hydroxypropan-2-yl(methyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116698241

Frequently Asked Questions

What is the IUPAC name of 2-methylbutane;2-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-methylbutane;2-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-1,3-thiazole-4-carboxamide (CID 143597264) is 2-methylbutane;2-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-methylbutane;2-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-methylbutane;2-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-1,3-thiazole-4-carboxamide is C=C(S/C=C\C)c1nc(C(N)=O)cs1.CCC(C)C.
What is the InChIKey of 2-methylbutane;2-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is XOOUUWDQOQHFQL-LNKPDPKZSA-N. The full InChI is InChI=1S/C9H10N2OS2.C5H12/c1-3-4-13-6(2)9-11-7(5-14-9)8(10)12;1-4-5(2)3/h3-5H,2H2,1H3,(H2,10,12);5H,4H2,1-3H3/b4-3-;.
What are the key properties of 2-methylbutane;2-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-1,3-thiazole-4-carboxamide?
2-methylbutane;2-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 298.48 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutane;2-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 143597264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).