(2R)-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride

C17H20ClN3O2S — CID 167990270

IUPAC(2R)-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)[C@H]1CNCCO1
InChIInChI=1S/C17H19N3O2S.ClH/c21-16(15-9-18-6-7-22-15)20-17-19-14(10-23-17)13-5-4-11-2-1-3-12(11)8-13;/h4-5,8,10,15,18H,1-3,6-7,9H2,(H,19,20,21);1H/t15-;/m1./s1
InChIKeyCYLXEZYTJURYEQ-XFULWGLBSA-N
MW365.89 g/mol
LogP2.65
Rot. Bonds3

About (2R)-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride

(2R)-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride (PubChem CID 167990270) has the molecular formula C17H20ClN3O2S and a molecular weight of 365.89 g/mol. Its IUPAC name is (2R)-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R)-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride
PubChem CID167990270
Molecular FormulaC17H20ClN3O2S
Molecular Weight365.89 g/mol
Exact Mass365.10
IUPAC Name(2R)-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)[C@H]1CNCCO1
InChIInChI=1S/C17H19N3O2S.ClH/c21-16(15-9-18-6-7-22-15)20-17-19-14(10-23-17)13-5-4-11-2-1-3-12(11)8-13;/h4-5,8,10,15,18H,1-3,6-7,9H2,(H,19,20,21);1H/t15-;/m1./s1
InChIKeyCYLXEZYTJURYEQ-XFULWGLBSA-N
XLogP2.65
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.89
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
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CID 87405651
2-amino-2-methyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide
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N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of (2R)-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride (CID 167990270) is (2R)-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2R)-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for (2R)-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride is Cl.O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)[C@H]1CNCCO1.
What is the InChIKey of (2R)-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is CYLXEZYTJURYEQ-XFULWGLBSA-N. The full InChI is InChI=1S/C17H19N3O2S.ClH/c21-16(15-9-18-6-7-22-15)20-17-19-14(10-23-17)13-5-4-11-2-1-3-12(11)8-13;/h4-5,8,10,15,18H,1-3,6-7,9H2,(H,19,20,21);1H/t15-;/m1./s1.
What are the key properties of (2R)-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride?
(2R)-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 365.89 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 167990270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).