N-methyl-N-(4-methylsulfanylbutan-2-yl)-1,3-thiazole-4-carboxamide

C10H16N2OS2 — CID 115636242

IUPACN-methyl-N-(4-methylsulfanylbutan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCSCCC(C)N(C)C(=O)c1cscn1
InChIInChI=1S/C10H16N2OS2/c1-8(4-5-14-3)12(2)10(13)9-6-15-7-11-9/h6-8H,4-5H2,1-3H3
InChIKeyNHOCZMKVXDWMFG-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.36
Rot. Bonds5

About N-methyl-N-(4-methylsulfanylbutan-2-yl)-1,3-thiazole-4-carboxamide

N-methyl-N-(4-methylsulfanylbutan-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 115636242) has the molecular formula C10H16N2OS2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-methyl-N-(4-methylsulfanylbutan-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylsulfanylbutan-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID115636242
Molecular FormulaC10H16N2OS2
Molecular Weight244.38 g/mol
Exact Mass244.07
IUPAC NameN-methyl-N-(4-methylsulfanylbutan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCSCCC(C)N(C)C(=O)c1cscn1
InChIInChI=1S/C10H16N2OS2/c1-8(4-5-14-3)12(2)10(13)9-6-15-7-11-9/h6-8H,4-5H2,1-3H3
InChIKeyNHOCZMKVXDWMFG-UHFFFAOYSA-N
XLogP2.36
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-Thiazole-4-carboxamide
CID 445276
(4-Ethylpiperazin-1-yl)-(2-ethynyl-1,3-thiazol-4-yl)methanone
CID 168282839
N-cyclopropyl-2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]-N-methylacetamide
CID 48110218
2-(Methylsulfanyl)-1-{4-[(1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl}propan-1-one
CID 53603923
2-Methylsulfanyl-1-[4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 56824066
N-prop-2-ynyl-1,3-thiazole-4-carboxamide
CID 63024101
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 103932997
N-cyclohexyl-1,3-thiazole-4-carboxamide
CID 62045802
N-cycloheptyl-1,3-thiazole-4-carboxamide
CID 62046160
[(4S)-4-methylazepan-1-yl]-(1,3-thiazol-4-yl)methanone
CID 96462663
N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide
CID 63022016
(2,2-Dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-(1,3-thiazol-4-yl)methanone
CID 71854770

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylsulfanylbutan-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-methyl-N-(4-methylsulfanylbutan-2-yl)-1,3-thiazole-4-carboxamide (CID 115636242) is N-methyl-N-(4-methylsulfanylbutan-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-(4-methylsulfanylbutan-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-methyl-N-(4-methylsulfanylbutan-2-yl)-1,3-thiazole-4-carboxamide is CSCCC(C)N(C)C(=O)c1cscn1.
What is the InChIKey of N-methyl-N-(4-methylsulfanylbutan-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is NHOCZMKVXDWMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS2/c1-8(4-5-14-3)12(2)10(13)9-6-15-7-11-9/h6-8H,4-5H2,1-3H3.
What are the key properties of N-methyl-N-(4-methylsulfanylbutan-2-yl)-1,3-thiazole-4-carboxamide?
N-methyl-N-(4-methylsulfanylbutan-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 244.38 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylsulfanylbutan-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 115636242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).