N,5-di(propan-2-yl)-1,2-thiazole-3-carboxamide;molecular hydrogen

C10H18N2OS — CID 176998826

IUPACN,5-di(propan-2-yl)-1,2-thiazole-3-carboxamide;molecular hydrogen
SMILESCC(C)NC(=O)c1cc(C(C)C)sn1.[H][H]
InChIInChI=1S/C10H16N2OS.H2/c1-6(2)9-5-8(12-14-9)10(13)11-7(3)4;/h5-7H,1-4H3,(H,11,13);1H
InChIKeyBMUOJWQKFQTNPM-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.65
Rot. Bonds3

About N,5-di(propan-2-yl)-1,2-thiazole-3-carboxamide;molecular hydrogen

N,5-di(propan-2-yl)-1,2-thiazole-3-carboxamide;molecular hydrogen (PubChem CID 176998826) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is N,5-di(propan-2-yl)-1,2-thiazole-3-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN,5-di(propan-2-yl)-1,2-thiazole-3-carboxamide;molecular hydrogen
PubChem CID176998826
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC NameN,5-di(propan-2-yl)-1,2-thiazole-3-carboxamide;molecular hydrogen
SMILESCC(C)NC(=O)c1cc(C(C)C)sn1.[H][H]
InChIInChI=1S/C10H16N2OS.H2/c1-6(2)9-5-8(12-14-9)10(13)11-7(3)4;/h5-7H,1-4H3,(H,11,13);1H
InChIKeyBMUOJWQKFQTNPM-UHFFFAOYSA-N
XLogP2.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-((2S,4S)-1-((4-aminopiperidin-1-yl)sulfonyl)-2-methylpiperidin-4-yl)-5-ethylisothiazole-3-carboxamide
CID 118946330
N-((2S,4R)-1-((4-aminopiperidin-1-yl)sulfonyl)-2-methylpiperidin-4-yl)-5-ethylisothiazole-3-carboxamide
CID 118946370
rel-N-((1s,3s)-3-Hydroxy-3-methylcyclobutyl)-5-methylisothiazole-3-carboxamide
CID 126819050
N-[[1-(dimethylamino)cyclopropyl]methyl]-5-methyl-1,2-thiazole-3-carboxamide
CID 126819064
5-methyl-N-(3-pyrrolidin-1-ylcyclobutyl)-1,2-thiazole-3-carboxamide
CID 132319301
N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-5-methyl-1,2-thiazole-3-carboxamide
CID 132323062
N-propan-2-yl-5-(trifluoromethyl)-1,2-thiazole-3-carboxamide
CID 166845261
N-((1r,4r)-4-aminocyclohexyl)-5-ethylisothiazole-3-carboxamide
CID 132227965
N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-5-methyl-1,2-thiazole-3-carboxamide
CID 126821820
5-methyl-N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]-1,2-thiazole-3-carboxamide
CID 126826310
N-[1-(2-fluoroethyl)piperidin-3-yl]-5-methyl-1,2-thiazole-3-carboxamide
CID 126826356
5-methyl-N-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-1,2-thiazole-3-carboxamide
CID 126831320

Frequently Asked Questions

What is the IUPAC name of N,5-di(propan-2-yl)-1,2-thiazole-3-carboxamide;molecular hydrogen?
The IUPAC name of N,5-di(propan-2-yl)-1,2-thiazole-3-carboxamide;molecular hydrogen (CID 176998826) is N,5-di(propan-2-yl)-1,2-thiazole-3-carboxamide;molecular hydrogen.
What is the SMILES notation for N,5-di(propan-2-yl)-1,2-thiazole-3-carboxamide;molecular hydrogen?
The canonical SMILES for N,5-di(propan-2-yl)-1,2-thiazole-3-carboxamide;molecular hydrogen is CC(C)NC(=O)c1cc(C(C)C)sn1.[H][H].
What is the InChIKey of N,5-di(propan-2-yl)-1,2-thiazole-3-carboxamide;molecular hydrogen?
The InChIKey is BMUOJWQKFQTNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS.H2/c1-6(2)9-5-8(12-14-9)10(13)11-7(3)4;/h5-7H,1-4H3,(H,11,13);1H.
What are the key properties of N,5-di(propan-2-yl)-1,2-thiazole-3-carboxamide;molecular hydrogen?
N,5-di(propan-2-yl)-1,2-thiazole-3-carboxamide;molecular hydrogen has a molecular weight of 214.33 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-di(propan-2-yl)-1,2-thiazole-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 176998826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).