5-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-propyl-1,3-thiazol-2-amine

C14H25N3S — CID 62768652

IUPAC5-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-propyl-1,3-thiazol-2-amine
SMILESCCCN(c1nc(C(C)(C)C)c(CN)s1)C1CC1
InChIInChI=1S/C14H25N3S/c1-5-8-17(10-6-7-10)13-16-12(14(2,3)4)11(9-15)18-13/h10H,5-9,15H2,1-4H3
InChIKeyQQVKLXBWJRVGJF-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.28
Rot. Bonds5

About 5-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-propyl-1,3-thiazol-2-amine

5-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-propyl-1,3-thiazol-2-amine (PubChem CID 62768652) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 5-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-propyl-1,3-thiazol-2-amine
PubChem CID62768652
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name5-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-propyl-1,3-thiazol-2-amine
SMILESCCCN(c1nc(C(C)(C)C)c(CN)s1)C1CC1
InChIInChI=1S/C14H25N3S/c1-5-8-17(10-6-7-10)13-16-12(14(2,3)4)11(9-15)18-13/h10H,5-9,15H2,1-4H3
InChIKeyQQVKLXBWJRVGJF-UHFFFAOYSA-N
XLogP3.28
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-propyl-1,3-thiazol-2-amine (CID 62768652) is 5-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-propyl-1,3-thiazol-2-amine is CCCN(c1nc(C(C)(C)C)c(CN)s1)C1CC1.
What is the InChIKey of 5-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-propyl-1,3-thiazol-2-amine?
The InChIKey is QQVKLXBWJRVGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-5-8-17(10-6-7-10)13-16-12(14(2,3)4)11(9-15)18-13/h10H,5-9,15H2,1-4H3.
What are the key properties of 5-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-propyl-1,3-thiazol-2-amine?
5-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-propyl-1,3-thiazol-2-amine has a molecular weight of 267.44 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62768652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).