N-[(4-cyclopropyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine

C16H20N2S2 — CID 82437415

IUPACN-[(4-cyclopropyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
SMILESc1csc(-c2nc(C3CC3)c(CNC3CCCC3)s2)c1
InChIInChI=1S/C16H20N2S2/c1-2-5-12(4-1)17-10-14-15(11-7-8-11)18-16(20-14)13-6-3-9-19-13/h3,6,9,11-12,17H,1-2,4-5,7-8,10H2
InChIKeyGZWBXGPRLQTSCR-UHFFFAOYSA-N
MW304.48 g/mol
LogP4.78
Rot. Bonds5

About N-[(4-cyclopropyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine

N-[(4-cyclopropyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine (PubChem CID 82437415) has the molecular formula C16H20N2S2 and a molecular weight of 304.48 g/mol. Its IUPAC name is N-[(4-cyclopropyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(4-cyclopropyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
PubChem CID82437415
Molecular FormulaC16H20N2S2
Molecular Weight304.48 g/mol
Exact Mass304.11
IUPAC NameN-[(4-cyclopropyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
SMILESc1csc(-c2nc(C3CC3)c(CNC3CCCC3)s2)c1
InChIInChI=1S/C16H20N2S2/c1-2-5-12(4-1)17-10-14-15(11-7-8-11)18-16(20-14)13-6-3-9-19-13/h3,6,9,11-12,17H,1-2,4-5,7-8,10H2
InChIKeyGZWBXGPRLQTSCR-UHFFFAOYSA-N
XLogP4.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(methoxymethyl)-2-thiophen-2-yl-1,3-thiazol-5-yl]methyl]cyclopentanamine
CID 82441318
N-[(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82435835
N-[[4-cyclopropyl-2-(3-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114367781
N-[[4-cyclopropyl-2-(4-ethylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82437388
2-(4-cyclopropyl-2-thiophen-2-yl-1,3-thiazol-5-yl)propan-2-amine
CID 82437425
4-[4-cyclopropyl-5-[(cyclopropylamino)methyl]-1,3-thiazol-2-yl]benzene-1,2-diol
CID 136889330
N-[(4-cyclopropyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82438001
N-[[4-cyclopropyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82437258
2-(4-cyclopropyl-2-thiophen-2-yl-1,3-thiazol-5-yl)propan-2-ol
CID 82437424
4-cyclopropyl-5-[(cyclopropylamino)methyl]-1,3-thiazol-2-amine
CID 114367607
N-(thiophen-2-ylmethyl)cycloheptanamine
CID 4719997
N-[[4-cyclopropyl-2-[(4-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114367802

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine?
The IUPAC name of N-[(4-cyclopropyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine (CID 82437415) is N-[(4-cyclopropyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(4-cyclopropyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine?
The canonical SMILES for N-[(4-cyclopropyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine is c1csc(-c2nc(C3CC3)c(CNC3CCCC3)s2)c1.
What is the InChIKey of N-[(4-cyclopropyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine?
The InChIKey is GZWBXGPRLQTSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S2/c1-2-5-12(4-1)17-10-14-15(11-7-8-11)18-16(20-14)13-6-3-9-19-13/h3,6,9,11-12,17H,1-2,4-5,7-8,10H2.
What are the key properties of N-[(4-cyclopropyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine?
N-[(4-cyclopropyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine has a molecular weight of 304.48 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopropyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine is sourced from PubChem (CID 82437415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).