N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

C21H17ClN4O2S2 — CID 34430285

IUPACN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccsc2)sc1C(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1
InChIInChI=1S/C21H17ClN4O2S2/c1-12-18(30-20(23-12)13-8-9-29-11-13)21(27)26(14-6-7-14)10-17-24-25-19(28-17)15-4-2-3-5-16(15)22/h2-5,8-9,11,14H,6-7,10H2,1H3
InChIKeyCRERHMSMNZXFHC-UHFFFAOYSA-N
MW456.98 g/mol
LogP5.69
Rot. Bonds6

About N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 34430285) has the molecular formula C21H17ClN4O2S2 and a molecular weight of 456.98 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
PubChem CID34430285
Molecular FormulaC21H17ClN4O2S2
Molecular Weight456.98 g/mol
Exact Mass456.05
IUPAC NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccsc2)sc1C(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1
InChIInChI=1S/C21H17ClN4O2S2/c1-12-18(30-20(23-12)13-8-9-29-11-13)21(27)26(14-6-7-14)10-17-24-25-19(28-17)15-4-2-3-5-16(15)22/h2-5,8-9,11,14H,6-7,10H2,1H3
InChIKeyCRERHMSMNZXFHC-UHFFFAOYSA-N
XLogP5.69
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.98
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (CID 34430285) is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccsc2)sc1C(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1.
What is the InChIKey of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is CRERHMSMNZXFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O2S2/c1-12-18(30-20(23-12)13-8-9-29-11-13)21(27)26(14-6-7-14)10-17-24-25-19(28-17)15-4-2-3-5-16(15)22/h2-5,8-9,11,14H,6-7,10H2,1H3.
What are the key properties of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 456.98 g/mol, XLogP of 5.69, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 34430285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).