N-(cyclohexylmethyl)-N-(cyclopropanecarbonyl)-4-methylthiadiazole-5-carboxamide

C15H21N3O2S — CID 20551682

IUPACN-(cyclohexylmethyl)-N-(cyclopropanecarbonyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N(CC1CCCCC1)C(=O)C1CC1
InChIInChI=1S/C15H21N3O2S/c1-10-13(21-17-16-10)15(20)18(14(19)12-7-8-12)9-11-5-3-2-4-6-11/h11-12H,2-9H2,1H3
InChIKeyVCMZHMBBVPTPJC-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.81
Rot. Bonds4

About N-(cyclohexylmethyl)-N-(cyclopropanecarbonyl)-4-methylthiadiazole-5-carboxamide

N-(cyclohexylmethyl)-N-(cyclopropanecarbonyl)-4-methylthiadiazole-5-carboxamide (PubChem CID 20551682) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-(cyclopropanecarbonyl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-(cyclopropanecarbonyl)-4-methylthiadiazole-5-carboxamide
PubChem CID20551682
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-(cyclohexylmethyl)-N-(cyclopropanecarbonyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N(CC1CCCCC1)C(=O)C1CC1
InChIInChI=1S/C15H21N3O2S/c1-10-13(21-17-16-10)15(20)18(14(19)12-7-8-12)9-11-5-3-2-4-6-11/h11-12H,2-9H2,1H3
InChIKeyVCMZHMBBVPTPJC-UHFFFAOYSA-N
XLogP2.81
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-(cyclopropanecarbonyl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-N-(cyclopropanecarbonyl)-4-methylthiadiazole-5-carboxamide (CID 20551682) is N-(cyclohexylmethyl)-N-(cyclopropanecarbonyl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-N-(cyclopropanecarbonyl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-N-(cyclopropanecarbonyl)-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)N(CC1CCCCC1)C(=O)C1CC1.
What is the InChIKey of N-(cyclohexylmethyl)-N-(cyclopropanecarbonyl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is VCMZHMBBVPTPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-10-13(21-17-16-10)15(20)18(14(19)12-7-8-12)9-11-5-3-2-4-6-11/h11-12H,2-9H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-N-(cyclopropanecarbonyl)-4-methylthiadiazole-5-carboxamide?
N-(cyclohexylmethyl)-N-(cyclopropanecarbonyl)-4-methylthiadiazole-5-carboxamide has a molecular weight of 307.42 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-(cyclopropanecarbonyl)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 20551682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).