N-cyclopropyl-N-propyl-5-(propylaminomethyl)-1,3-thiazol-2-amine

C13H23N3S — CID 62749927

IUPACN-cyclopropyl-N-propyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1cnc(N(CCC)C2CC2)s1
InChIInChI=1S/C13H23N3S/c1-3-7-14-9-12-10-15-13(17-12)16(8-4-2)11-5-6-11/h10-11,14H,3-9H2,1-2H3
InChIKeySHMUUEDUZFEMNY-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.02
Rot. Bonds8

About N-cyclopropyl-N-propyl-5-(propylaminomethyl)-1,3-thiazol-2-amine

N-cyclopropyl-N-propyl-5-(propylaminomethyl)-1,3-thiazol-2-amine (PubChem CID 62749927) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N-cyclopropyl-N-propyl-5-(propylaminomethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-propyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
PubChem CID62749927
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN-cyclopropyl-N-propyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1cnc(N(CCC)C2CC2)s1
InChIInChI=1S/C13H23N3S/c1-3-7-14-9-12-10-15-13(17-12)16(8-4-2)11-5-6-11/h10-11,14H,3-9H2,1-2H3
InChIKeySHMUUEDUZFEMNY-UHFFFAOYSA-N
XLogP3.02
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-propyl-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-cyclopropyl-N-propyl-5-(propylaminomethyl)-1,3-thiazol-2-amine (CID 62749927) is N-cyclopropyl-N-propyl-5-(propylaminomethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-cyclopropyl-N-propyl-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-cyclopropyl-N-propyl-5-(propylaminomethyl)-1,3-thiazol-2-amine is CCCNCc1cnc(N(CCC)C2CC2)s1.
What is the InChIKey of N-cyclopropyl-N-propyl-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The InChIKey is SHMUUEDUZFEMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-3-7-14-9-12-10-15-13(17-12)16(8-4-2)11-5-6-11/h10-11,14H,3-9H2,1-2H3.
What are the key properties of N-cyclopropyl-N-propyl-5-(propylaminomethyl)-1,3-thiazol-2-amine?
N-cyclopropyl-N-propyl-5-(propylaminomethyl)-1,3-thiazol-2-amine has a molecular weight of 253.41 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-propyl-5-(propylaminomethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62749927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).