5-(1-aminoethyl)-N-(cyclopropylmethyl)-4-methyl-N-propyl-1,3-thiazol-2-amine

C13H23N3S — CID 62749832

IUPAC5-(1-aminoethyl)-N-(cyclopropylmethyl)-4-methyl-N-propyl-1,3-thiazol-2-amine
SMILESCCCN(CC1CC1)c1nc(C)c(C(C)N)s1
InChIInChI=1S/C13H23N3S/c1-4-7-16(8-11-5-6-11)13-15-10(3)12(17-13)9(2)14/h9,11H,4-8,14H2,1-3H3
InChIKeyPYMFRNHAQQPJRT-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.10
Rot. Bonds6

About 5-(1-aminoethyl)-N-(cyclopropylmethyl)-4-methyl-N-propyl-1,3-thiazol-2-amine

5-(1-aminoethyl)-N-(cyclopropylmethyl)-4-methyl-N-propyl-1,3-thiazol-2-amine (PubChem CID 62749832) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 5-(1-aminoethyl)-N-(cyclopropylmethyl)-4-methyl-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(1-aminoethyl)-N-(cyclopropylmethyl)-4-methyl-N-propyl-1,3-thiazol-2-amine
PubChem CID62749832
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name5-(1-aminoethyl)-N-(cyclopropylmethyl)-4-methyl-N-propyl-1,3-thiazol-2-amine
SMILESCCCN(CC1CC1)c1nc(C)c(C(C)N)s1
InChIInChI=1S/C13H23N3S/c1-4-7-16(8-11-5-6-11)13-15-10(3)12(17-13)9(2)14/h9,11H,4-8,14H2,1-3H3
InChIKeyPYMFRNHAQQPJRT-UHFFFAOYSA-N
XLogP3.10
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(1-aminoethyl)-N-(cyclopropylmethyl)-4-methyl-N-propyl-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-N-(cyclopropylmethyl)-4-methyl-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(1-aminoethyl)-N-(cyclopropylmethyl)-4-methyl-N-propyl-1,3-thiazol-2-amine (CID 62749832) is 5-(1-aminoethyl)-N-(cyclopropylmethyl)-4-methyl-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(1-aminoethyl)-N-(cyclopropylmethyl)-4-methyl-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(1-aminoethyl)-N-(cyclopropylmethyl)-4-methyl-N-propyl-1,3-thiazol-2-amine is CCCN(CC1CC1)c1nc(C)c(C(C)N)s1.
What is the InChIKey of 5-(1-aminoethyl)-N-(cyclopropylmethyl)-4-methyl-N-propyl-1,3-thiazol-2-amine?
The InChIKey is PYMFRNHAQQPJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-4-7-16(8-11-5-6-11)13-15-10(3)12(17-13)9(2)14/h9,11H,4-8,14H2,1-3H3.
What are the key properties of 5-(1-aminoethyl)-N-(cyclopropylmethyl)-4-methyl-N-propyl-1,3-thiazol-2-amine?
5-(1-aminoethyl)-N-(cyclopropylmethyl)-4-methyl-N-propyl-1,3-thiazol-2-amine has a molecular weight of 253.41 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-N-(cyclopropylmethyl)-4-methyl-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62749832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).