4-dicyclopropylphosphoryl-2-methyl-1,3-thiazole

C10H14NOPS — CID 167252984

IUPAC4-dicyclopropylphosphoryl-2-methyl-1,3-thiazole
SMILESCc1nc(P(=O)(C2CC2)C2CC2)cs1
InChIInChI=1S/C10H14NOPS/c1-7-11-10(6-14-7)13(12,8-2-3-8)9-4-5-9/h6,8-9H,2-5H2,1H3
InChIKeyDHTUYAZDSRIFKW-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.76
Rot. Bonds3

About 4-dicyclopropylphosphoryl-2-methyl-1,3-thiazole

4-dicyclopropylphosphoryl-2-methyl-1,3-thiazole (PubChem CID 167252984) has the molecular formula C10H14NOPS and a molecular weight of 227.27 g/mol. Its IUPAC name is 4-dicyclopropylphosphoryl-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-dicyclopropylphosphoryl-2-methyl-1,3-thiazole
PubChem CID167252984
Molecular FormulaC10H14NOPS
Molecular Weight227.27 g/mol
Exact Mass227.05
IUPAC Name4-dicyclopropylphosphoryl-2-methyl-1,3-thiazole
SMILESCc1nc(P(=O)(C2CC2)C2CC2)cs1
InChIInChI=1S/C10H14NOPS/c1-7-11-10(6-14-7)13(12,8-2-3-8)9-4-5-9/h6,8-9H,2-5H2,1H3
InChIKeyDHTUYAZDSRIFKW-UHFFFAOYSA-N
XLogP2.76
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 131204307
1-(2-amino-1-methylcyclopentyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 116607340
2-methyl-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazole
CID 5121126
2,4-dimethyl-1,3-thiazole;ethane;methylcyclobutane
CID 143290404
2-methyl-4-(1-methylcyclopropyl)-1,3-thiazole
CID 90291718
2-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 110465347
1-(2-methyl-1,3-thiazol-4-yl)cyclopropan-1-ol
CID 65198382
4-(4-methylpiperidin-1-yl)sulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 55754023
4-(cyclohexylmethyl)-2-methyl-1,3-thiazole
CID 174858890
3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione
CID 64966457
4-(2-methyl-1,3-thiazol-4-yl)cyclohex-3-ene-1-carboxylic acid
CID 58465581
2-cyclopropyl-N-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 130736068

Frequently Asked Questions

What is the IUPAC name of 4-dicyclopropylphosphoryl-2-methyl-1,3-thiazole?
The IUPAC name of 4-dicyclopropylphosphoryl-2-methyl-1,3-thiazole (CID 167252984) is 4-dicyclopropylphosphoryl-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-dicyclopropylphosphoryl-2-methyl-1,3-thiazole?
The canonical SMILES for 4-dicyclopropylphosphoryl-2-methyl-1,3-thiazole is Cc1nc(P(=O)(C2CC2)C2CC2)cs1.
What is the InChIKey of 4-dicyclopropylphosphoryl-2-methyl-1,3-thiazole?
The InChIKey is DHTUYAZDSRIFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14NOPS/c1-7-11-10(6-14-7)13(12,8-2-3-8)9-4-5-9/h6,8-9H,2-5H2,1H3.
What are the key properties of 4-dicyclopropylphosphoryl-2-methyl-1,3-thiazole?
4-dicyclopropylphosphoryl-2-methyl-1,3-thiazole has a molecular weight of 227.27 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dicyclopropylphosphoryl-2-methyl-1,3-thiazole is sourced from PubChem (CID 167252984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).