3-amino-5-(cyclooctylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide

C15H24N4OS — CID 103382473

IUPAC3-amino-5-(cyclooctylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide
SMILESNc1nsc(NC2CCCCCCC2)c1C(=O)NC1CC1
InChIInChI=1S/C15H24N4OS/c16-13-12(14(20)17-11-8-9-11)15(21-19-13)18-10-6-4-2-1-3-5-7-10/h10-11,18H,1-9H2,(H2,16,19)(H,17,20)
InChIKeyZQICONGCMSKQLY-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.14
Rot. Bonds4

About 3-amino-5-(cyclooctylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide

3-amino-5-(cyclooctylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide (PubChem CID 103382473) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is 3-amino-5-(cyclooctylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-(cyclooctylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide
PubChem CID103382473
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name3-amino-5-(cyclooctylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide
SMILESNc1nsc(NC2CCCCCCC2)c1C(=O)NC1CC1
InChIInChI=1S/C15H24N4OS/c16-13-12(14(20)17-11-8-9-11)15(21-19-13)18-10-6-4-2-1-3-5-7-10/h10-11,18H,1-9H2,(H2,16,19)(H,17,20)
InChIKeyZQICONGCMSKQLY-UHFFFAOYSA-N
XLogP3.14
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(cyclooctylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-(cyclooctylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide (CID 103382473) is 3-amino-5-(cyclooctylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-(cyclooctylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-(cyclooctylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide is Nc1nsc(NC2CCCCCCC2)c1C(=O)NC1CC1.
What is the InChIKey of 3-amino-5-(cyclooctylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide?
The InChIKey is ZQICONGCMSKQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c16-13-12(14(20)17-11-8-9-11)15(21-19-13)18-10-6-4-2-1-3-5-7-10/h10-11,18H,1-9H2,(H2,16,19)(H,17,20).
What are the key properties of 3-amino-5-(cyclooctylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide?
3-amino-5-(cyclooctylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide has a molecular weight of 308.45 g/mol, XLogP of 3.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(cyclooctylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103382473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).