N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxamide

C12H18N2O3S — CID 126799219

IUPACN-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxamide
SMILESCOCc1ncsc1C(=O)NC(C)(CO)C1CC1
InChIInChI=1S/C12H18N2O3S/c1-12(6-15,8-3-4-8)14-11(16)10-9(5-17-2)13-7-18-10/h7-8,15H,3-6H2,1-2H3,(H,14,16)
InChIKeyMHZJGLPWEKPXCO-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.18
Rot. Bonds6

About N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxamide

N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxamide (PubChem CID 126799219) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxamide
PubChem CID126799219
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxamide
SMILESCOCc1ncsc1C(=O)NC(C)(CO)C1CC1
InChIInChI=1S/C12H18N2O3S/c1-12(6-15,8-3-4-8)14-11(16)10-9(5-17-2)13-7-18-10/h7-8,15H,3-6H2,1-2H3,(H,14,16)
InChIKeyMHZJGLPWEKPXCO-UHFFFAOYSA-N
XLogP1.18
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxamide (CID 126799219) is N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxamide is COCc1ncsc1C(=O)NC(C)(CO)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is MHZJGLPWEKPXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-12(6-15,8-3-4-8)14-11(16)10-9(5-17-2)13-7-18-10/h7-8,15H,3-6H2,1-2H3,(H,14,16).
What are the key properties of N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxamide?
N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 270.35 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 126799219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).