N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide

C19H16ClN3OS — CID 52511288

IUPACN-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2cccnc2)n1)N[C@H]1CCc2cc(Cl)ccc21
InChIInChI=1S/C19H16ClN3OS/c20-14-4-5-16-12(8-14)3-6-17(16)23-18(24)9-15-11-25-19(22-15)13-2-1-7-21-10-13/h1-2,4-5,7-8,10-11,17H,3,6,9H2,(H,23,24)/t17-/m0/s1
InChIKeyWZORLWOKFVYGRD-KRWDZBQOSA-N
MW369.88 g/mol
LogP4.20
Rot. Bonds4

About N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide

N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 52511288) has the molecular formula C19H16ClN3OS and a molecular weight of 369.88 g/mol. Its IUPAC name is N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
PubChem CID52511288
Molecular FormulaC19H16ClN3OS
Molecular Weight369.88 g/mol
Exact Mass369.07
IUPAC NameN-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2cccnc2)n1)N[C@H]1CCc2cc(Cl)ccc21
InChIInChI=1S/C19H16ClN3OS/c20-14-4-5-16-12(8-14)3-6-17(16)23-18(24)9-15-11-25-19(22-15)13-2-1-7-21-10-13/h1-2,4-5,7-8,10-11,17H,3,6,9H2,(H,23,24)/t17-/m0/s1
InChIKeyWZORLWOKFVYGRD-KRWDZBQOSA-N
XLogP4.20
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.88
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51205987
N-(2,3-dihydro-1H-inden-1-yl)-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 17439358
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 40812760
N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 60573524
2-(2-pyridin-3-yl-1,3-thiazol-4-yl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
CID 95142510
N-(3-acetamidophenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51204752
N-(pyridin-3-ylmethyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 39084438
N-(2-methylpiperidin-4-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 120601114
N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 94694926
N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 94694925
N-naphthalen-1-yl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51204706
1-(3-chlorophenyl)-3-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]urea
CID 108784338

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide (CID 52511288) is N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide is O=C(Cc1csc(-c2cccnc2)n1)N[C@H]1CCc2cc(Cl)ccc21.
What is the InChIKey of N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is WZORLWOKFVYGRD-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H16ClN3OS/c20-14-4-5-16-12(8-14)3-6-17(16)23-18(24)9-15-11-25-19(22-15)13-2-1-7-21-10-13/h1-2,4-5,7-8,10-11,17H,3,6,9H2,(H,23,24)/t17-/m0/s1.
What are the key properties of N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 369.88 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 52511288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).