N-[(4-tert-butyl-1,3-thiazol-2-yl)-cyclopentylmethyl]cyclopropanamine

C16H26N2S — CID 62070387

IUPACN-[(4-tert-butyl-1,3-thiazol-2-yl)-cyclopentylmethyl]cyclopropanamine
SMILESCC(C)(C)c1csc(C(NC2CC2)C2CCCC2)n1
InChIInChI=1S/C16H26N2S/c1-16(2,3)13-10-19-15(18-13)14(17-12-8-9-12)11-6-4-5-7-11/h10-12,14,17H,4-9H2,1-3H3
InChIKeyLLCZXYOFRMIHGJ-UHFFFAOYSA-N
MW278.46 g/mol
LogP4.42
Rot. Bonds4

About N-[(4-tert-butyl-1,3-thiazol-2-yl)-cyclopentylmethyl]cyclopropanamine

N-[(4-tert-butyl-1,3-thiazol-2-yl)-cyclopentylmethyl]cyclopropanamine (PubChem CID 62070387) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is N-[(4-tert-butyl-1,3-thiazol-2-yl)-cyclopentylmethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-tert-butyl-1,3-thiazol-2-yl)-cyclopentylmethyl]cyclopropanamine
PubChem CID62070387
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC NameN-[(4-tert-butyl-1,3-thiazol-2-yl)-cyclopentylmethyl]cyclopropanamine
SMILESCC(C)(C)c1csc(C(NC2CC2)C2CCCC2)n1
InChIInChI=1S/C16H26N2S/c1-16(2,3)13-10-19-15(18-13)14(17-12-8-9-12)11-6-4-5-7-11/h10-12,14,17H,4-9H2,1-3H3
InChIKeyLLCZXYOFRMIHGJ-UHFFFAOYSA-N
XLogP4.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butyl-1,3-thiazol-2-yl)-cyclopentylmethyl]cyclopropanamine?
The IUPAC name of N-[(4-tert-butyl-1,3-thiazol-2-yl)-cyclopentylmethyl]cyclopropanamine (CID 62070387) is N-[(4-tert-butyl-1,3-thiazol-2-yl)-cyclopentylmethyl]cyclopropanamine.
What is the SMILES notation for N-[(4-tert-butyl-1,3-thiazol-2-yl)-cyclopentylmethyl]cyclopropanamine?
The canonical SMILES for N-[(4-tert-butyl-1,3-thiazol-2-yl)-cyclopentylmethyl]cyclopropanamine is CC(C)(C)c1csc(C(NC2CC2)C2CCCC2)n1.
What is the InChIKey of N-[(4-tert-butyl-1,3-thiazol-2-yl)-cyclopentylmethyl]cyclopropanamine?
The InChIKey is LLCZXYOFRMIHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-16(2,3)13-10-19-15(18-13)14(17-12-8-9-12)11-6-4-5-7-11/h10-12,14,17H,4-9H2,1-3H3.
What are the key properties of N-[(4-tert-butyl-1,3-thiazol-2-yl)-cyclopentylmethyl]cyclopropanamine?
N-[(4-tert-butyl-1,3-thiazol-2-yl)-cyclopentylmethyl]cyclopropanamine has a molecular weight of 278.46 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butyl-1,3-thiazol-2-yl)-cyclopentylmethyl]cyclopropanamine is sourced from PubChem (CID 62070387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).