5-[[cyclopropyl(propyl)amino]methyl]-1,3-thiazol-2-amine

C10H17N3S — CID 79772205

IUPAC5-[[cyclopropyl(propyl)amino]methyl]-1,3-thiazol-2-amine
SMILESCCCN(Cc1cnc(N)s1)C1CC1
InChIInChI=1S/C10H17N3S/c1-2-5-13(8-3-4-8)7-9-6-12-10(11)14-9/h6,8H,2-5,7H2,1H3,(H2,11,12)
InChIKeyNRKVHTNAFLAYFQ-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.10
Rot. Bonds5

About 5-[[cyclopropyl(propyl)amino]methyl]-1,3-thiazol-2-amine

5-[[cyclopropyl(propyl)amino]methyl]-1,3-thiazol-2-amine (PubChem CID 79772205) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 5-[[cyclopropyl(propyl)amino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[cyclopropyl(propyl)amino]methyl]-1,3-thiazol-2-amine
PubChem CID79772205
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name5-[[cyclopropyl(propyl)amino]methyl]-1,3-thiazol-2-amine
SMILESCCCN(Cc1cnc(N)s1)C1CC1
InChIInChI=1S/C10H17N3S/c1-2-5-13(8-3-4-8)7-9-6-12-10(11)14-9/h6,8H,2-5,7H2,1H3,(H2,11,12)
InChIKeyNRKVHTNAFLAYFQ-UHFFFAOYSA-N
XLogP2.10
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopropyl(propyl)amino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[cyclopropyl(propyl)amino]methyl]-1,3-thiazol-2-amine (CID 79772205) is 5-[[cyclopropyl(propyl)amino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[cyclopropyl(propyl)amino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[cyclopropyl(propyl)amino]methyl]-1,3-thiazol-2-amine is CCCN(Cc1cnc(N)s1)C1CC1.
What is the InChIKey of 5-[[cyclopropyl(propyl)amino]methyl]-1,3-thiazol-2-amine?
The InChIKey is NRKVHTNAFLAYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-2-5-13(8-3-4-8)7-9-6-12-10(11)14-9/h6,8H,2-5,7H2,1H3,(H2,11,12).
What are the key properties of 5-[[cyclopropyl(propyl)amino]methyl]-1,3-thiazol-2-amine?
5-[[cyclopropyl(propyl)amino]methyl]-1,3-thiazol-2-amine has a molecular weight of 211.33 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopropyl(propyl)amino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79772205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).