N-[4-[2-[(5-bromonaphthalen-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide

C19H16BrN3O2S — CID 146021995

IUPACN-[4-[2-[(5-bromonaphthalen-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESO=C(Cc1csc(NC(=O)C2CC2)n1)Nc1ccc2c(Br)cccc2c1
InChIInChI=1S/C19H16BrN3O2S/c20-16-3-1-2-12-8-13(6-7-15(12)16)21-17(24)9-14-10-26-19(22-14)23-18(25)11-4-5-11/h1-3,6-8,10-11H,4-5,9H2,(H,21,24)(H,22,23,25)
InChIKeyIGAYUWNUXSCWES-UHFFFAOYSA-N
MW430.33 g/mol
LogP4.59
Rot. Bonds5

About N-[4-[2-[(5-bromonaphthalen-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide

N-[4-[2-[(5-bromonaphthalen-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide (PubChem CID 146021995) has the molecular formula C19H16BrN3O2S and a molecular weight of 430.33 g/mol. Its IUPAC name is N-[4-[2-[(5-bromonaphthalen-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-[(5-bromonaphthalen-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
PubChem CID146021995
Molecular FormulaC19H16BrN3O2S
Molecular Weight430.33 g/mol
Exact Mass429.01
IUPAC NameN-[4-[2-[(5-bromonaphthalen-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESO=C(Cc1csc(NC(=O)C2CC2)n1)Nc1ccc2c(Br)cccc2c1
InChIInChI=1S/C19H16BrN3O2S/c20-16-3-1-2-12-8-13(6-7-15(12)16)21-17(24)9-14-10-26-19(22-14)23-18(25)11-4-5-11/h1-3,6-8,10-11H,4-5,9H2,(H,21,24)(H,22,23,25)
InChIKeyIGAYUWNUXSCWES-UHFFFAOYSA-N
XLogP4.59
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.33
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-bromo-2-fluorophenyl)methyl 2-[2-(cyclopropanecarbonylamino)-1,3-thiazol-4-yl]acetate
CID 146023918
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N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
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N-[3-[[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 43055700
N-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 18568275
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CID 146022091
N-[4-[2-(3-acetamidoanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 16881480
N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 27396581
N-[4-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 35705578
N-[4-[2-(3-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 16881419
N-[4-[2-(3-chloroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 16881421
N-[4-[2-[4-(3-methylpiperidin-1-yl)sulfonylanilino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(5-bromonaphthalen-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[2-[(5-bromonaphthalen-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide (CID 146021995) is N-[4-[2-[(5-bromonaphthalen-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[2-[(5-bromonaphthalen-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[2-[(5-bromonaphthalen-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide is O=C(Cc1csc(NC(=O)C2CC2)n1)Nc1ccc2c(Br)cccc2c1.
What is the InChIKey of N-[4-[2-[(5-bromonaphthalen-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The InChIKey is IGAYUWNUXSCWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O2S/c20-16-3-1-2-12-8-13(6-7-15(12)16)21-17(24)9-14-10-26-19(22-14)23-18(25)11-4-5-11/h1-3,6-8,10-11H,4-5,9H2,(H,21,24)(H,22,23,25).
What are the key properties of N-[4-[2-[(5-bromonaphthalen-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
N-[4-[2-[(5-bromonaphthalen-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 430.33 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(5-bromonaphthalen-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 146021995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).