N-[(1S,2S)-2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methyl-1,3-thiazole-5-carboxamide

C16H18N2O2S — CID 100612885

IUPACN-[(1S,2S)-2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N[C@@H]1c2ccccc2CC[C@@H]1CO
InChIInChI=1S/C16H18N2O2S/c1-10-15(21-9-17-10)16(20)18-14-12(8-19)7-6-11-4-2-3-5-13(11)14/h2-5,9,12,14,19H,6-8H2,1H3,(H,18,20)/t12-,14+/m1/s1
InChIKeyGGIONSVYYLCIRN-OCCSQVGLSA-N
MW302.40 g/mol
LogP2.48
Rot. Bonds3

About N-[(1S,2S)-2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methyl-1,3-thiazole-5-carboxamide

N-[(1S,2S)-2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 100612885) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[(1S,2S)-2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID100612885
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-[(1S,2S)-2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N[C@@H]1c2ccccc2CC[C@@H]1CO
InChIInChI=1S/C16H18N2O2S/c1-10-15(21-9-17-10)16(20)18-14-12(8-19)7-6-11-4-2-3-5-13(11)14/h2-5,9,12,14,19H,6-8H2,1H3,(H,18,20)/t12-,14+/m1/s1
InChIKeyGGIONSVYYLCIRN-OCCSQVGLSA-N
XLogP2.48
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 103816966
N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 142729755
(2R)-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanoic acid
CID 129468232
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 79740729
2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 12522311
N-(4-chlorocyclohexyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 114296876
cis-(1S,3R)-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 97318338
N-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 49449075
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylthiadiazole-5-carboxamide
CID 102739009
N-[(1S,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 102358584
N-methyl-2-(1,3-thiazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 112641299
2-acetamido-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 87543958

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(1S,2S)-2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methyl-1,3-thiazole-5-carboxamide (CID 100612885) is N-[(1S,2S)-2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)N[C@@H]1c2ccccc2CC[C@@H]1CO.
What is the InChIKey of N-[(1S,2S)-2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is GGIONSVYYLCIRN-OCCSQVGLSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-10-15(21-9-17-10)16(20)18-14-12(8-19)7-6-11-4-2-3-5-13(11)14/h2-5,9,12,14,19H,6-8H2,1H3,(H,18,20)/t12-,14+/m1/s1.
What are the key properties of N-[(1S,2S)-2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[(1S,2S)-2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 100612885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).