(Z)-N-[4-(4-methylpyrimidin-2-yl)phenyl]-3-(1,3-thiazol-4-yl)prop-2-enamide

C17H14N4OS — CID 97359898

IUPAC(Z)-N-[4-(4-methylpyrimidin-2-yl)phenyl]-3-(1,3-thiazol-4-yl)prop-2-enamide
SMILESCc1ccnc(-c2ccc(NC(=O)/C=C\c3cscn3)cc2)n1
InChIInChI=1S/C17H14N4OS/c1-12-8-9-18-17(20-12)13-2-4-14(5-3-13)21-16(22)7-6-15-10-23-11-19-15/h2-11H,1H3,(H,21,22)/b7-6-
InChIKeyAEYGQYCLEVWQGX-SREVYHEPSA-N
MW322.39 g/mol
LogP3.56
Rot. Bonds4

About (Z)-N-[4-(4-methylpyrimidin-2-yl)phenyl]-3-(1,3-thiazol-4-yl)prop-2-enamide

(Z)-N-[4-(4-methylpyrimidin-2-yl)phenyl]-3-(1,3-thiazol-4-yl)prop-2-enamide (PubChem CID 97359898) has the molecular formula C17H14N4OS and a molecular weight of 322.39 g/mol. Its IUPAC name is (Z)-N-[4-(4-methylpyrimidin-2-yl)phenyl]-3-(1,3-thiazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[4-(4-methylpyrimidin-2-yl)phenyl]-3-(1,3-thiazol-4-yl)prop-2-enamide
PubChem CID97359898
Molecular FormulaC17H14N4OS
Molecular Weight322.39 g/mol
Exact Mass322.09
IUPAC Name(Z)-N-[4-(4-methylpyrimidin-2-yl)phenyl]-3-(1,3-thiazol-4-yl)prop-2-enamide
SMILESCc1ccnc(-c2ccc(NC(=O)/C=C\c3cscn3)cc2)n1
InChIInChI=1S/C17H14N4OS/c1-12-8-9-18-17(20-12)13-2-4-14(5-3-13)21-16(22)7-6-15-10-23-11-19-15/h2-11H,1H3,(H,21,22)/b7-6-
InChIKeyAEYGQYCLEVWQGX-SREVYHEPSA-N
XLogP3.56
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-(4-pyrimidin-2-yloxyphenyl)-3-(1,3-thiazol-4-yl)prop-2-enamide
CID 97462495
(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]prop-2-enamide
CID 41191672
1-[4-(methoxymethyl)phenyl]-3-[4-(4-methylpyrimidin-2-yl)phenyl]urea
CID 119049787
N-(3-ethynylphenyl)-3-(1,3-thiazol-4-yl)prop-2-enamide
CID 71881380
(E)-N-methoxy-3-(1,3-thiazol-4-yl)prop-2-enamide
CID 131247757
3-[methyl-[[4-(4-methylpyrimidin-2-yl)phenyl]carbamoyl]amino]propanoic acid
CID 122084799
(E)-N-[3-(4-methylpyrimidin-2-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 75364868
2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[4-(4-methylpyrimidin-2-yl)phenyl]cyclopropane-1-carboxamide
CID 102557297
N-[4-(4-methylpyrimidin-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119327335
1-ethyl-1-(2-methylprop-2-enyl)-3-[4-(4-methylpyrimidin-2-yl)phenyl]urea
CID 56791436
(E)-N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-3-(1,3-thiazol-4-yl)prop-2-enamide
CID 49320988
2-amino-3-methyl-N-[4-(4-methylpyrimidin-2-yl)phenyl]pentanamide;hydrochloride
CID 119790178

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[4-(4-methylpyrimidin-2-yl)phenyl]-3-(1,3-thiazol-4-yl)prop-2-enamide?
The IUPAC name of (Z)-N-[4-(4-methylpyrimidin-2-yl)phenyl]-3-(1,3-thiazol-4-yl)prop-2-enamide (CID 97359898) is (Z)-N-[4-(4-methylpyrimidin-2-yl)phenyl]-3-(1,3-thiazol-4-yl)prop-2-enamide.
What is the SMILES notation for (Z)-N-[4-(4-methylpyrimidin-2-yl)phenyl]-3-(1,3-thiazol-4-yl)prop-2-enamide?
The canonical SMILES for (Z)-N-[4-(4-methylpyrimidin-2-yl)phenyl]-3-(1,3-thiazol-4-yl)prop-2-enamide is Cc1ccnc(-c2ccc(NC(=O)/C=C\c3cscn3)cc2)n1.
What is the InChIKey of (Z)-N-[4-(4-methylpyrimidin-2-yl)phenyl]-3-(1,3-thiazol-4-yl)prop-2-enamide?
The InChIKey is AEYGQYCLEVWQGX-SREVYHEPSA-N. The full InChI is InChI=1S/C17H14N4OS/c1-12-8-9-18-17(20-12)13-2-4-14(5-3-13)21-16(22)7-6-15-10-23-11-19-15/h2-11H,1H3,(H,21,22)/b7-6-.
What are the key properties of (Z)-N-[4-(4-methylpyrimidin-2-yl)phenyl]-3-(1,3-thiazol-4-yl)prop-2-enamide?
(Z)-N-[4-(4-methylpyrimidin-2-yl)phenyl]-3-(1,3-thiazol-4-yl)prop-2-enamide has a molecular weight of 322.39 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[4-(4-methylpyrimidin-2-yl)phenyl]-3-(1,3-thiazol-4-yl)prop-2-enamide is sourced from PubChem (CID 97359898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).