5-(aminomethyl)-4-cyclopropyl-N,N-dimethyl-1,3-thiazol-2-amine

C9H15N3S — CID 63916162

IUPAC5-(aminomethyl)-4-cyclopropyl-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCN(C)c1nc(C2CC2)c(CN)s1
InChIInChI=1S/C9H15N3S/c1-12(2)9-11-8(6-3-4-6)7(5-10)13-9/h6H,3-5,10H2,1-2H3
InChIKeyNYDINHJMALRYLR-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.55
Rot. Bonds3

About 5-(aminomethyl)-4-cyclopropyl-N,N-dimethyl-1,3-thiazol-2-amine

5-(aminomethyl)-4-cyclopropyl-N,N-dimethyl-1,3-thiazol-2-amine (PubChem CID 63916162) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 5-(aminomethyl)-4-cyclopropyl-N,N-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-4-cyclopropyl-N,N-dimethyl-1,3-thiazol-2-amine
PubChem CID63916162
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name5-(aminomethyl)-4-cyclopropyl-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCN(C)c1nc(C2CC2)c(CN)s1
InChIInChI=1S/C9H15N3S/c1-12(2)9-11-8(6-3-4-6)7(5-10)13-9/h6H,3-5,10H2,1-2H3
InChIKeyNYDINHJMALRYLR-UHFFFAOYSA-N
XLogP1.55
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-cyclopropyl-N,N-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-4-cyclopropyl-N,N-dimethyl-1,3-thiazol-2-amine (CID 63916162) is 5-(aminomethyl)-4-cyclopropyl-N,N-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-4-cyclopropyl-N,N-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-4-cyclopropyl-N,N-dimethyl-1,3-thiazol-2-amine is CN(C)c1nc(C2CC2)c(CN)s1.
What is the InChIKey of 5-(aminomethyl)-4-cyclopropyl-N,N-dimethyl-1,3-thiazol-2-amine?
The InChIKey is NYDINHJMALRYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-12(2)9-11-8(6-3-4-6)7(5-10)13-9/h6H,3-5,10H2,1-2H3.
What are the key properties of 5-(aminomethyl)-4-cyclopropyl-N,N-dimethyl-1,3-thiazol-2-amine?
5-(aminomethyl)-4-cyclopropyl-N,N-dimethyl-1,3-thiazol-2-amine has a molecular weight of 197.31 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-cyclopropyl-N,N-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 63916162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).