N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)cyclopentan-1-amine

C16H21N3S2 — CID 71931388

IUPACN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)cyclopentan-1-amine
SMILESCc1csc(C2(NCc3csc(C4CC4)n3)CCCC2)n1
InChIInChI=1S/C16H21N3S2/c1-11-9-21-15(18-11)16(6-2-3-7-16)17-8-13-10-20-14(19-13)12-4-5-12/h9-10,12,17H,2-8H2,1H3
InChIKeyFRXCUWNAMSBCEW-UHFFFAOYSA-N
MW319.50 g/mol
LogP4.34
Rot. Bonds5

About N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)cyclopentan-1-amine

N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)cyclopentan-1-amine (PubChem CID 71931388) has the molecular formula C16H21N3S2 and a molecular weight of 319.50 g/mol. Its IUPAC name is N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)cyclopentan-1-amine.

Molecular Properties

Compound NameN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)cyclopentan-1-amine
PubChem CID71931388
Molecular FormulaC16H21N3S2
Molecular Weight319.50 g/mol
Exact Mass319.12
IUPAC NameN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)cyclopentan-1-amine
SMILESCc1csc(C2(NCc3csc(C4CC4)n3)CCCC2)n1
InChIInChI=1S/C16H21N3S2/c1-11-9-21-15(18-11)16(6-2-3-7-16)17-8-13-10-20-14(19-13)12-4-5-12/h9-10,12,17H,2-8H2,1H3
InChIKeyFRXCUWNAMSBCEW-UHFFFAOYSA-N
XLogP4.34
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.50
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)cyclopentan-1-amine?
The IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)cyclopentan-1-amine (CID 71931388) is N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)cyclopentan-1-amine.
What is the SMILES notation for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)cyclopentan-1-amine?
The canonical SMILES for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)cyclopentan-1-amine is Cc1csc(C2(NCc3csc(C4CC4)n3)CCCC2)n1.
What is the InChIKey of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)cyclopentan-1-amine?
The InChIKey is FRXCUWNAMSBCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S2/c1-11-9-21-15(18-11)16(6-2-3-7-16)17-8-13-10-20-14(19-13)12-4-5-12/h9-10,12,17H,2-8H2,1H3.
What are the key properties of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)cyclopentan-1-amine?
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)cyclopentan-1-amine has a molecular weight of 319.50 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)cyclopentan-1-amine is sourced from PubChem (CID 71931388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).