N,N-diethyl-5-[[(3-methylcyclohexyl)amino]methyl]-1,3-thiazol-2-amine

C15H27N3S — CID 43775446

IUPACN,N-diethyl-5-[[(3-methylcyclohexyl)amino]methyl]-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CNC2CCCC(C)C2)s1
InChIInChI=1S/C15H27N3S/c1-4-18(5-2)15-17-11-14(19-15)10-16-13-8-6-7-12(3)9-13/h11-13,16H,4-10H2,1-3H3
InChIKeyKCQFYBVMXKOIIP-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.66
Rot. Bonds6

About N,N-diethyl-5-[[(3-methylcyclohexyl)amino]methyl]-1,3-thiazol-2-amine

N,N-diethyl-5-[[(3-methylcyclohexyl)amino]methyl]-1,3-thiazol-2-amine (PubChem CID 43775446) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is N,N-diethyl-5-[[(3-methylcyclohexyl)amino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-diethyl-5-[[(3-methylcyclohexyl)amino]methyl]-1,3-thiazol-2-amine
PubChem CID43775446
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC NameN,N-diethyl-5-[[(3-methylcyclohexyl)amino]methyl]-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CNC2CCCC(C)C2)s1
InChIInChI=1S/C15H27N3S/c1-4-18(5-2)15-17-11-14(19-15)10-16-13-8-6-7-12(3)9-13/h11-13,16H,4-10H2,1-3H3
InChIKeyKCQFYBVMXKOIIP-UHFFFAOYSA-N
XLogP3.66
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[[(3-methylcyclohexyl)amino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of N,N-diethyl-5-[[(3-methylcyclohexyl)amino]methyl]-1,3-thiazol-2-amine (CID 43775446) is N,N-diethyl-5-[[(3-methylcyclohexyl)amino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-diethyl-5-[[(3-methylcyclohexyl)amino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,N-diethyl-5-[[(3-methylcyclohexyl)amino]methyl]-1,3-thiazol-2-amine is CCN(CC)c1ncc(CNC2CCCC(C)C2)s1.
What is the InChIKey of N,N-diethyl-5-[[(3-methylcyclohexyl)amino]methyl]-1,3-thiazol-2-amine?
The InChIKey is KCQFYBVMXKOIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-4-18(5-2)15-17-11-14(19-15)10-16-13-8-6-7-12(3)9-13/h11-13,16H,4-10H2,1-3H3.
What are the key properties of N,N-diethyl-5-[[(3-methylcyclohexyl)amino]methyl]-1,3-thiazol-2-amine?
N,N-diethyl-5-[[(3-methylcyclohexyl)amino]methyl]-1,3-thiazol-2-amine has a molecular weight of 281.47 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[[(3-methylcyclohexyl)amino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 43775446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).