N-(cyclopentylmethyl)-N,4-dimethyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine

C16H29N3S — CID 63654925

IUPACN-(cyclopentylmethyl)-N,4-dimethyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
SMILESCCCNC(C)c1sc(N(C)CC2CCCC2)nc1C
InChIInChI=1S/C16H29N3S/c1-5-10-17-12(2)15-13(3)18-16(20-15)19(4)11-14-8-6-7-9-14/h12,14,17H,5-11H2,1-4H3
InChIKeyKYEZVUDZMIVMMY-UHFFFAOYSA-N
MW295.50 g/mol
LogP4.14
Rot. Bonds7

About N-(cyclopentylmethyl)-N,4-dimethyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine

N-(cyclopentylmethyl)-N,4-dimethyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine (PubChem CID 63654925) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-N,4-dimethyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-N,4-dimethyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
PubChem CID63654925
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC NameN-(cyclopentylmethyl)-N,4-dimethyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
SMILESCCCNC(C)c1sc(N(C)CC2CCCC2)nc1C
InChIInChI=1S/C16H29N3S/c1-5-10-17-12(2)15-13(3)18-16(20-15)19(4)11-14-8-6-7-9-14/h12,14,17H,5-11H2,1-4H3
InChIKeyKYEZVUDZMIVMMY-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-N,4-dimethyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(cyclopentylmethyl)-N,4-dimethyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine (CID 63654925) is N-(cyclopentylmethyl)-N,4-dimethyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(cyclopentylmethyl)-N,4-dimethyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(cyclopentylmethyl)-N,4-dimethyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine is CCCNC(C)c1sc(N(C)CC2CCCC2)nc1C.
What is the InChIKey of N-(cyclopentylmethyl)-N,4-dimethyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine?
The InChIKey is KYEZVUDZMIVMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-5-10-17-12(2)15-13(3)18-16(20-15)19(4)11-14-8-6-7-9-14/h12,14,17H,5-11H2,1-4H3.
What are the key properties of N-(cyclopentylmethyl)-N,4-dimethyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine?
N-(cyclopentylmethyl)-N,4-dimethyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine has a molecular weight of 295.50 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-N,4-dimethyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 63654925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).