N-methyl-4-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]cyclohexan-1-amine

C14H19N3S — CID 116965479

IUPACN-methyl-4-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]cyclohexan-1-amine
SMILESCNC1CCC(c2nc(-c3cc[nH]c3)cs2)CC1
InChIInChI=1S/C14H19N3S/c1-15-12-4-2-10(3-5-12)14-17-13(9-18-14)11-6-7-16-8-11/h6-10,12,15-16H,2-5H2,1H3
InChIKeyYBFIQTOOZNSWOF-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.38
Rot. Bonds3

About N-methyl-4-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]cyclohexan-1-amine

N-methyl-4-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]cyclohexan-1-amine (PubChem CID 116965479) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-methyl-4-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-4-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]cyclohexan-1-amine
PubChem CID116965479
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN-methyl-4-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]cyclohexan-1-amine
SMILESCNC1CCC(c2nc(-c3cc[nH]c3)cs2)CC1
InChIInChI=1S/C14H19N3S/c1-15-12-4-2-10(3-5-12)14-17-13(9-18-14)11-6-7-16-8-11/h6-10,12,15-16H,2-5H2,1H3
InChIKeyYBFIQTOOZNSWOF-UHFFFAOYSA-N
XLogP3.38
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]cyclohexan-1-amine?
The IUPAC name of N-methyl-4-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]cyclohexan-1-amine (CID 116965479) is N-methyl-4-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]cyclohexan-1-amine.
What is the SMILES notation for N-methyl-4-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]cyclohexan-1-amine?
The canonical SMILES for N-methyl-4-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]cyclohexan-1-amine is CNC1CCC(c2nc(-c3cc[nH]c3)cs2)CC1.
What is the InChIKey of N-methyl-4-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]cyclohexan-1-amine?
The InChIKey is YBFIQTOOZNSWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-15-12-4-2-10(3-5-12)14-17-13(9-18-14)11-6-7-16-8-11/h6-10,12,15-16H,2-5H2,1H3.
What are the key properties of N-methyl-4-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]cyclohexan-1-amine?
N-methyl-4-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]cyclohexan-1-amine has a molecular weight of 261.39 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 116965479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).