N-cyclopropyl-N-(oxolan-3-ylmethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

C16H18N2O2S2 — CID 86990729

IUPACN-cyclopropyl-N-(oxolan-3-ylmethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(c1csc(-c2cccs2)n1)N(CC1CCOC1)C1CC1
InChIInChI=1S/C16H18N2O2S2/c19-16(13-10-22-15(17-13)14-2-1-7-21-14)18(12-3-4-12)8-11-5-6-20-9-11/h1-2,7,10-12H,3-6,8-9H2
InChIKeyNKFXMCSBYQZOAL-UHFFFAOYSA-N
MW334.47 g/mol
LogP3.51
Rot. Bonds5

About N-cyclopropyl-N-(oxolan-3-ylmethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

N-cyclopropyl-N-(oxolan-3-ylmethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 86990729) has the molecular formula C16H18N2O2S2 and a molecular weight of 334.47 g/mol. Its IUPAC name is N-cyclopropyl-N-(oxolan-3-ylmethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(oxolan-3-ylmethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
PubChem CID86990729
Molecular FormulaC16H18N2O2S2
Molecular Weight334.47 g/mol
Exact Mass334.08
IUPAC NameN-cyclopropyl-N-(oxolan-3-ylmethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(c1csc(-c2cccs2)n1)N(CC1CCOC1)C1CC1
InChIInChI=1S/C16H18N2O2S2/c19-16(13-10-22-15(17-13)14-2-1-7-21-14)18(12-3-4-12)8-11-5-6-20-9-11/h1-2,7,10-12H,3-6,8-9H2
InChIKeyNKFXMCSBYQZOAL-UHFFFAOYSA-N
XLogP3.51
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(oxolan-3-ylmethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-N-(oxolan-3-ylmethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 86990729) is N-cyclopropyl-N-(oxolan-3-ylmethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-(oxolan-3-ylmethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-N-(oxolan-3-ylmethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is O=C(c1csc(-c2cccs2)n1)N(CC1CCOC1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(oxolan-3-ylmethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is NKFXMCSBYQZOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S2/c19-16(13-10-22-15(17-13)14-2-1-7-21-14)18(12-3-4-12)8-11-5-6-20-9-11/h1-2,7,10-12H,3-6,8-9H2.
What are the key properties of N-cyclopropyl-N-(oxolan-3-ylmethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
N-cyclopropyl-N-(oxolan-3-ylmethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 334.47 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(oxolan-3-ylmethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 86990729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).