(E)-N-methyl-3-(1-methylpyrazol-4-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]prop-2-enamide

C15H20N4OS — CID 56755601

IUPAC(E)-N-methyl-3-(1-methylpyrazol-4-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]prop-2-enamide
SMILESCC(C)c1nc(CN(C)C(=O)/C=C/c2cnn(C)c2)cs1
InChIInChI=1S/C15H20N4OS/c1-11(2)15-17-13(10-21-15)9-18(3)14(20)6-5-12-7-16-19(4)8-12/h5-8,10-11H,9H2,1-4H3/b6-5+
InChIKeyVRWGMWHWKDCNFR-AATRIKPKSA-N
MW304.42 g/mol
LogP2.67
Rot. Bonds5

About (E)-N-methyl-3-(1-methylpyrazol-4-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]prop-2-enamide

(E)-N-methyl-3-(1-methylpyrazol-4-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]prop-2-enamide (PubChem CID 56755601) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is (E)-N-methyl-3-(1-methylpyrazol-4-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-methyl-3-(1-methylpyrazol-4-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]prop-2-enamide
PubChem CID56755601
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name(E)-N-methyl-3-(1-methylpyrazol-4-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]prop-2-enamide
SMILESCC(C)c1nc(CN(C)C(=O)/C=C/c2cnn(C)c2)cs1
InChIInChI=1S/C15H20N4OS/c1-11(2)15-17-13(10-21-15)9-18(3)14(20)6-5-12-7-16-19(4)8-12/h5-8,10-11H,9H2,1-4H3/b6-5+
InChIKeyVRWGMWHWKDCNFR-AATRIKPKSA-N
XLogP2.67
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-3-(1-methylpyrazol-4-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]prop-2-enamide?
The IUPAC name of (E)-N-methyl-3-(1-methylpyrazol-4-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]prop-2-enamide (CID 56755601) is (E)-N-methyl-3-(1-methylpyrazol-4-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-N-methyl-3-(1-methylpyrazol-4-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]prop-2-enamide?
The canonical SMILES for (E)-N-methyl-3-(1-methylpyrazol-4-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]prop-2-enamide is CC(C)c1nc(CN(C)C(=O)/C=C/c2cnn(C)c2)cs1.
What is the InChIKey of (E)-N-methyl-3-(1-methylpyrazol-4-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]prop-2-enamide?
The InChIKey is VRWGMWHWKDCNFR-AATRIKPKSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-11(2)15-17-13(10-21-15)9-18(3)14(20)6-5-12-7-16-19(4)8-12/h5-8,10-11H,9H2,1-4H3/b6-5+.
What are the key properties of (E)-N-methyl-3-(1-methylpyrazol-4-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]prop-2-enamide?
(E)-N-methyl-3-(1-methylpyrazol-4-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]prop-2-enamide has a molecular weight of 304.42 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-3-(1-methylpyrazol-4-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]prop-2-enamide is sourced from PubChem (CID 56755601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).