N-cyclohexyl-N-ethyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine

C16H29N3S — CID 64544326

IUPACN-cyclohexyl-N-ethyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
SMILESCCCNC(C)c1csc(N(CC)C2CCCCC2)n1
InChIInChI=1S/C16H29N3S/c1-4-11-17-13(3)15-12-20-16(18-15)19(5-2)14-9-7-6-8-10-14/h12-14,17H,4-11H2,1-3H3
InChIKeyMPCMGBCEPCCKHU-UHFFFAOYSA-N
MW295.50 g/mol
LogP4.36
Rot. Bonds7

About N-cyclohexyl-N-ethyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine

N-cyclohexyl-N-ethyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine (PubChem CID 64544326) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
PubChem CID64544326
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC NameN-cyclohexyl-N-ethyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
SMILESCCCNC(C)c1csc(N(CC)C2CCCCC2)n1
InChIInChI=1S/C16H29N3S/c1-4-11-17-13(3)15-12-20-16(18-15)19(5-2)14-9-7-6-8-10-14/h12-14,17H,4-11H2,1-3H3
InChIKeyMPCMGBCEPCCKHU-UHFFFAOYSA-N
XLogP4.36
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 64543943
4-(1-aminoethyl)-N-cyclohexyl-N-ethyl-1,3-thiazol-2-amine
CID 64544532
4-(1-aminoethyl)-N-cyclopropyl-N-ethyl-1,3-thiazol-2-amine
CID 64543335
N,N-bis(cyclopropylmethyl)-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 64542769
N-butyl-N-cyclopropyl-4-[1-(ethylamino)ethyl]-1,3-thiazol-2-amine
CID 64544356
N-cyclopropyl-4-[1-(ethylamino)ethyl]-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 64543352
N-butan-2-yl-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 64542717
N-methyl-N-(3-methylbutyl)-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 64545180
N'-ethyl-N,N-dimethyl-N'-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]propane-1,3-diamine
CID 102997970
N-(cyclopentylmethyl)-4-[1-(ethylamino)ethyl]-N-methyl-1,3-thiazol-2-amine
CID 64544590
N-cyclopropyl-4-[1-(ethylamino)ethyl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 64543556
N,N-diethyl-4-[1-(ethylamino)ethyl]-1,3-thiazol-2-amine
CID 64542709

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of N-cyclohexyl-N-ethyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine (CID 64544326) is N-cyclohexyl-N-ethyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-cyclohexyl-N-ethyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-cyclohexyl-N-ethyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine is CCCNC(C)c1csc(N(CC)C2CCCCC2)n1.
What is the InChIKey of N-cyclohexyl-N-ethyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine?
The InChIKey is MPCMGBCEPCCKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-4-11-17-13(3)15-12-20-16(18-15)19(5-2)14-9-7-6-8-10-14/h12-14,17H,4-11H2,1-3H3.
What are the key properties of N-cyclohexyl-N-ethyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine?
N-cyclohexyl-N-ethyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine has a molecular weight of 295.50 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 64544326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).