5-(aminomethyl)-N-pentyl-4-(trifluoromethyl)-1,3-thiazol-2-amine

C10H16F3N3S — CID 87536124

IUPAC5-(aminomethyl)-N-pentyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCCCCCNc1nc(C(F)(F)F)c(CN)s1
InChIInChI=1S/C10H16F3N3S/c1-2-3-4-5-15-9-16-8(10(11,12)13)7(6-14)17-9/h2-6,14H2,1H3,(H,15,16)
InChIKeyNOJQKMKXMWPBJW-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.22
Rot. Bonds6

About 5-(aminomethyl)-N-pentyl-4-(trifluoromethyl)-1,3-thiazol-2-amine

5-(aminomethyl)-N-pentyl-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 87536124) has the molecular formula C10H16F3N3S and a molecular weight of 267.32 g/mol. Its IUPAC name is 5-(aminomethyl)-N-pentyl-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-pentyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID87536124
Molecular FormulaC10H16F3N3S
Molecular Weight267.32 g/mol
Exact Mass267.10
IUPAC Name5-(aminomethyl)-N-pentyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCCCCCNc1nc(C(F)(F)F)c(CN)s1
InChIInChI=1S/C10H16F3N3S/c1-2-3-4-5-15-9-16-8(10(11,12)13)7(6-14)17-9/h2-6,14H2,1H3,(H,15,16)
InChIKeyNOJQKMKXMWPBJW-UHFFFAOYSA-N
XLogP3.22
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.22
H-Bond Donors ≤ 52
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 5-(aminomethyl)-N-pentyl-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-pentyl-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 87536124) is 5-(aminomethyl)-N-pentyl-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-pentyl-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-pentyl-4-(trifluoromethyl)-1,3-thiazol-2-amine is CCCCCNc1nc(C(F)(F)F)c(CN)s1.
What is the InChIKey of 5-(aminomethyl)-N-pentyl-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is NOJQKMKXMWPBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3S/c1-2-3-4-5-15-9-16-8(10(11,12)13)7(6-14)17-9/h2-6,14H2,1H3,(H,15,16).
What are the key properties of 5-(aminomethyl)-N-pentyl-4-(trifluoromethyl)-1,3-thiazol-2-amine?
5-(aminomethyl)-N-pentyl-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 267.32 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-pentyl-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 87536124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).