N-(1-propan-2-ylpyrazol-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]prop-2-enamide

C16H22N4OS — CID 154879501

IUPACN-(1-propan-2-ylpyrazol-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]prop-2-enamide
SMILESC=CC(=O)N(Cc1cnc(C(C)C)s1)c1ccn(C(C)C)n1
InChIInChI=1S/C16H22N4OS/c1-6-15(21)19(14-7-8-20(18-14)12(4)5)10-13-9-17-16(22-13)11(2)3/h6-9,11-12H,1,10H2,2-5H3
InChIKeyWEXNGWKIASVXGN-UHFFFAOYSA-N
MW318.45 g/mol
LogP3.76
Rot. Bonds6

About N-(1-propan-2-ylpyrazol-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]prop-2-enamide

N-(1-propan-2-ylpyrazol-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]prop-2-enamide (PubChem CID 154879501) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is N-(1-propan-2-ylpyrazol-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-(1-propan-2-ylpyrazol-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]prop-2-enamide
PubChem CID154879501
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC NameN-(1-propan-2-ylpyrazol-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]prop-2-enamide
SMILESC=CC(=O)N(Cc1cnc(C(C)C)s1)c1ccn(C(C)C)n1
InChIInChI=1S/C16H22N4OS/c1-6-15(21)19(14-7-8-20(18-14)12(4)5)10-13-9-17-16(22-13)11(2)3/h6-9,11-12H,1,10H2,2-5H3
InChIKeyWEXNGWKIASVXGN-UHFFFAOYSA-N
XLogP3.76
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 53.76
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 N-(1-propan-2-ylpyrazol-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]prop-2-enamide?
The IUPAC name of N-(1-propan-2-ylpyrazol-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]prop-2-enamide (CID 154879501) is N-(1-propan-2-ylpyrazol-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]prop-2-enamide.
What is the SMILES notation for N-(1-propan-2-ylpyrazol-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]prop-2-enamide?
The canonical SMILES for N-(1-propan-2-ylpyrazol-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]prop-2-enamide is C=CC(=O)N(Cc1cnc(C(C)C)s1)c1ccn(C(C)C)n1.
What is the InChIKey of N-(1-propan-2-ylpyrazol-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]prop-2-enamide?
The InChIKey is WEXNGWKIASVXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-6-15(21)19(14-7-8-20(18-14)12(4)5)10-13-9-17-16(22-13)11(2)3/h6-9,11-12H,1,10H2,2-5H3.
What are the key properties of N-(1-propan-2-ylpyrazol-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]prop-2-enamide?
N-(1-propan-2-ylpyrazol-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]prop-2-enamide has a molecular weight of 318.45 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propan-2-ylpyrazol-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]prop-2-enamide is sourced from PubChem (CID 154879501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).