N-[(3-methyltriazol-4-yl)methyl]-5-propan-2-yl-1,3-thiazol-2-amine

C10H15N5S — CID 104599863

IUPACN-[(3-methyltriazol-4-yl)methyl]-5-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)c1cnc(NCc2cnnn2C)s1
InChIInChI=1S/C10H15N5S/c1-7(2)9-6-12-10(16-9)11-4-8-5-13-14-15(8)3/h5-7H,4H2,1-3H3,(H,11,12)
InChIKeyAABDOMCWXFBAGQ-UHFFFAOYSA-N
MW237.33 g/mol
LogP2.01
Rot. Bonds4

About N-[(3-methyltriazol-4-yl)methyl]-5-propan-2-yl-1,3-thiazol-2-amine

N-[(3-methyltriazol-4-yl)methyl]-5-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 104599863) has the molecular formula C10H15N5S and a molecular weight of 237.33 g/mol. Its IUPAC name is N-[(3-methyltriazol-4-yl)methyl]-5-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(3-methyltriazol-4-yl)methyl]-5-propan-2-yl-1,3-thiazol-2-amine
PubChem CID104599863
Molecular FormulaC10H15N5S
Molecular Weight237.33 g/mol
Exact Mass237.10
IUPAC NameN-[(3-methyltriazol-4-yl)methyl]-5-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)c1cnc(NCc2cnnn2C)s1
InChIInChI=1S/C10H15N5S/c1-7(2)9-6-12-10(16-9)11-4-8-5-13-14-15(8)3/h5-7H,4H2,1-3H3,(H,11,12)
InChIKeyAABDOMCWXFBAGQ-UHFFFAOYSA-N
XLogP2.01
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyltriazol-4-yl)methyl]-5-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-[(3-methyltriazol-4-yl)methyl]-5-propan-2-yl-1,3-thiazol-2-amine (CID 104599863) is N-[(3-methyltriazol-4-yl)methyl]-5-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(3-methyltriazol-4-yl)methyl]-5-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(3-methyltriazol-4-yl)methyl]-5-propan-2-yl-1,3-thiazol-2-amine is CC(C)c1cnc(NCc2cnnn2C)s1.
What is the InChIKey of N-[(3-methyltriazol-4-yl)methyl]-5-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is AABDOMCWXFBAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5S/c1-7(2)9-6-12-10(16-9)11-4-8-5-13-14-15(8)3/h5-7H,4H2,1-3H3,(H,11,12).
What are the key properties of N-[(3-methyltriazol-4-yl)methyl]-5-propan-2-yl-1,3-thiazol-2-amine?
N-[(3-methyltriazol-4-yl)methyl]-5-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 237.33 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyltriazol-4-yl)methyl]-5-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 104599863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).