N-[3-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide

C20H19N3O2S — CID 32869761

IUPACN-[3-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide
SMILESO=C(CCNC(=O)c1ccc2ccccc2c1)Nc1nc(C2CC2)cs1
InChIInChI=1S/C20H19N3O2S/c24-18(23-20-22-17(12-26-20)14-6-7-14)9-10-21-19(25)16-8-5-13-3-1-2-4-15(13)11-16/h1-5,8,11-12,14H,6-7,9-10H2,(H,21,25)(H,22,23,24)
InChIKeyXAOSUSDXNZUZMA-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.93
Rot. Bonds6

About N-[3-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide

N-[3-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide (PubChem CID 32869761) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[3-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide
PubChem CID32869761
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC NameN-[3-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide
SMILESO=C(CCNC(=O)c1ccc2ccccc2c1)Nc1nc(C2CC2)cs1
InChIInChI=1S/C20H19N3O2S/c24-18(23-20-22-17(12-26-20)14-6-7-14)9-10-21-19(25)16-8-5-13-3-1-2-4-15(13)11-16/h1-5,8,11-12,14H,6-7,9-10H2,(H,21,25)(H,22,23,24)
InChIKeyXAOSUSDXNZUZMA-UHFFFAOYSA-N
XLogP3.93
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(4-acetyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55583002
N-[3-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 46589382
N-[3-[[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 46573515
N-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 30840626
1-N,4-N-bis(4-cyclopropyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 32869371
N-[4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]-2-ethoxybenzamide
CID 32867568
3-(2-chlorophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)propanamide
CID 32868458
N-[3-(methylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 47161001
2-(2-chlorophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)acetamide
CID 32863339
N-[3-(2-aminoethylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 119384874
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)sulfanylacetamide
CID 33302254
N-[3-[4-(methylcarbamoylamino)anilino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55596125

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide (CID 32869761) is N-[3-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide is O=C(CCNC(=O)c1ccc2ccccc2c1)Nc1nc(C2CC2)cs1.
What is the InChIKey of N-[3-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide?
The InChIKey is XAOSUSDXNZUZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c24-18(23-20-22-17(12-26-20)14-6-7-14)9-10-21-19(25)16-8-5-13-3-1-2-4-15(13)11-16/h1-5,8,11-12,14H,6-7,9-10H2,(H,21,25)(H,22,23,24).
What are the key properties of N-[3-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide?
N-[3-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide is sourced from PubChem (CID 32869761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).