N-(4-morpholin-2-ylphenyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide;hydrochloride

C18H18ClN5O2S — CID 67241056

IUPACN-(4-morpholin-2-ylphenyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(C2CNCCO2)cc1)c1csc(-c2ncccn2)n1
InChIInChI=1S/C18H17N5O2S.ClH/c24-17(14-11-26-18(23-14)16-20-6-1-7-21-16)22-13-4-2-12(3-5-13)15-10-19-8-9-25-15;/h1-7,11,15,19H,8-10H2,(H,22,24);1H
InChIKeyXSKXSZIVONRNQT-UHFFFAOYSA-N
MW403.90 g/mol
LogP2.94
Rot. Bonds4

About N-(4-morpholin-2-ylphenyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide;hydrochloride

N-(4-morpholin-2-ylphenyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 67241056) has the molecular formula C18H18ClN5O2S and a molecular weight of 403.90 g/mol. Its IUPAC name is N-(4-morpholin-2-ylphenyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-morpholin-2-ylphenyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID67241056
Molecular FormulaC18H18ClN5O2S
Molecular Weight403.90 g/mol
Exact Mass403.09
IUPAC NameN-(4-morpholin-2-ylphenyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(C2CNCCO2)cc1)c1csc(-c2ncccn2)n1
InChIInChI=1S/C18H17N5O2S.ClH/c24-17(14-11-26-18(23-14)16-20-6-1-7-21-16)22-13-4-2-12(3-5-13)15-10-19-8-9-25-15;/h1-7,11,15,19H,8-10H2,(H,22,24);1H
InChIKeyXSKXSZIVONRNQT-UHFFFAOYSA-N
XLogP2.94
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.90
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-2-ylphenyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(4-morpholin-2-ylphenyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide;hydrochloride (CID 67241056) is N-(4-morpholin-2-ylphenyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-morpholin-2-ylphenyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(4-morpholin-2-ylphenyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(C2CNCCO2)cc1)c1csc(-c2ncccn2)n1.
What is the InChIKey of N-(4-morpholin-2-ylphenyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is XSKXSZIVONRNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S.ClH/c24-17(14-11-26-18(23-14)16-20-6-1-7-21-16)22-13-4-2-12(3-5-13)15-10-19-8-9-25-15;/h1-7,11,15,19H,8-10H2,(H,22,24);1H.
What are the key properties of N-(4-morpholin-2-ylphenyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide;hydrochloride?
N-(4-morpholin-2-ylphenyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 403.90 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-2-ylphenyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 67241056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).