(1R)-1-[(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid

C19H22N2O3S — CID 97268180

IUPAC(1R)-1-[(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid
SMILESCc1nc(C(C)C)sc1C(=O)N[C@]1(C(=O)O)CCCc2ccccc21
InChIInChI=1S/C19H22N2O3S/c1-11(2)17-20-12(3)15(25-17)16(22)21-19(18(23)24)10-6-8-13-7-4-5-9-14(13)19/h4-5,7,9,11H,6,8,10H2,1-3H3,(H,21,22)(H,23,24)/t19-/m1/s1
InChIKeyTXTHTCSNSMAJKW-LJQANCHMSA-N
MW358.46 g/mol
LogP3.62
Rot. Bonds4

About (1R)-1-[(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid

(1R)-1-[(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid (PubChem CID 97268180) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is (1R)-1-[(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name(1R)-1-[(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid
PubChem CID97268180
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name(1R)-1-[(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid
SMILESCc1nc(C(C)C)sc1C(=O)N[C@]1(C(=O)O)CCCc2ccccc21
InChIInChI=1S/C19H22N2O3S/c1-11(2)17-20-12(3)15(25-17)16(22)21-19(18(23)24)10-6-8-13-7-4-5-9-14(13)19/h4-5,7,9,11H,6,8,10H2,1-3H3,(H,21,22)(H,23,24)/t19-/m1/s1
InChIKeyTXTHTCSNSMAJKW-LJQANCHMSA-N
XLogP3.62
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 55690485
N-(1-amino-2,3-dihydro-1H-inden-2-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 156604265
N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 97112668
N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 97112669
1-propan-2-yloxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 114991852
methyl 4-methyl-1-[(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylate
CID 55808952
N-cyclopropyl-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 71941859
N-(3,4-dichlorophenyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 46450785
4-methyl-N-(3-phenylsulfanylpropyl)-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 46453331
(1S)-1-methyl-2,3-dihydroindene-1-carboxylic acid
CID 124509477
methyl 1-(2-methylpropylamino)-3,4-dihydro-2H-naphthalene-1-carboxylate
CID 54895148
1-[2-(diethylamino)ethylamino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 60993938

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The IUPAC name of (1R)-1-[(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid (CID 97268180) is (1R)-1-[(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid.
What is the SMILES notation for (1R)-1-[(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The canonical SMILES for (1R)-1-[(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid is Cc1nc(C(C)C)sc1C(=O)N[C@]1(C(=O)O)CCCc2ccccc21.
What is the InChIKey of (1R)-1-[(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The InChIKey is TXTHTCSNSMAJKW-LJQANCHMSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-11(2)17-20-12(3)15(25-17)16(22)21-19(18(23)24)10-6-8-13-7-4-5-9-14(13)19/h4-5,7,9,11H,6,8,10H2,1-3H3,(H,21,22)(H,23,24)/t19-/m1/s1.
What are the key properties of (1R)-1-[(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
(1R)-1-[(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid has a molecular weight of 358.46 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid is sourced from PubChem (CID 97268180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).