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

C16H27N3S — CID 64542769

IUPACN,N-bis(cyclopropylmethyl)-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
SMILESCCCNC(C)c1csc(N(CC2CC2)CC2CC2)n1
InChIInChI=1S/C16H27N3S/c1-3-8-17-12(2)15-11-20-16(18-15)19(9-13-4-5-13)10-14-6-7-14/h11-14,17H,3-10H2,1-2H3
InChIKeyAPGAWAZXYFDWHB-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.83
Rot. Bonds9

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

N,N-bis(cyclopropylmethyl)-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine (PubChem CID 64542769) has the molecular formula C16H27N3S and a molecular weight of 293.48 g/mol. Its IUPAC name is N,N-bis(cyclopropylmethyl)-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-bis(cyclopropylmethyl)-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
PubChem CID64542769
Molecular FormulaC16H27N3S
Molecular Weight293.48 g/mol
Exact Mass293.19
IUPAC NameN,N-bis(cyclopropylmethyl)-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
SMILESCCCNC(C)c1csc(N(CC2CC2)CC2CC2)n1
InChIInChI=1S/C16H27N3S/c1-3-8-17-12(2)15-11-20-16(18-15)19(9-13-4-5-13)10-14-6-7-14/h11-14,17H,3-10H2,1-2H3
InChIKeyAPGAWAZXYFDWHB-UHFFFAOYSA-N
XLogP3.83
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(cyclopropylmethyl)-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of N,N-bis(cyclopropylmethyl)-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine (CID 64542769) is N,N-bis(cyclopropylmethyl)-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-bis(cyclopropylmethyl)-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,N-bis(cyclopropylmethyl)-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine is CCCNC(C)c1csc(N(CC2CC2)CC2CC2)n1.
What is the InChIKey of N,N-bis(cyclopropylmethyl)-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine?
The InChIKey is APGAWAZXYFDWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S/c1-3-8-17-12(2)15-11-20-16(18-15)19(9-13-4-5-13)10-14-6-7-14/h11-14,17H,3-10H2,1-2H3.
What are the key properties of N,N-bis(cyclopropylmethyl)-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine?
N,N-bis(cyclopropylmethyl)-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine has a molecular weight of 293.48 g/mol, XLogP of 3.83, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(cyclopropylmethyl)-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 64542769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).