4-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine

C13H17N3S2 — CID 65484067

IUPAC4-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine
SMILESNc1nc(CCN(Cc2ccsc2)C2CC2)cs1
InChIInChI=1S/C13H17N3S2/c14-13-15-11(9-18-13)3-5-16(12-1-2-12)7-10-4-6-17-8-10/h4,6,8-9,12H,1-3,5,7H2,(H2,14,15)
InChIKeyIGRCSCNYSHUWGW-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.99
Rot. Bonds6

About 4-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine

4-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine (PubChem CID 65484067) has the molecular formula C13H17N3S2 and a molecular weight of 279.43 g/mol. Its IUPAC name is 4-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine
PubChem CID65484067
Molecular FormulaC13H17N3S2
Molecular Weight279.43 g/mol
Exact Mass279.09
IUPAC Name4-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine
SMILESNc1nc(CCN(Cc2ccsc2)C2CC2)cs1
InChIInChI=1S/C13H17N3S2/c14-13-15-11(9-18-13)3-5-16(12-1-2-12)7-10-4-6-17-8-10/h4,6,8-9,12H,1-3,5,7H2,(H2,14,15)
InChIKeyIGRCSCNYSHUWGW-UHFFFAOYSA-N
XLogP2.99
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine (CID 65484067) is 4-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine is Nc1nc(CCN(Cc2ccsc2)C2CC2)cs1.
What is the InChIKey of 4-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine?
The InChIKey is IGRCSCNYSHUWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S2/c14-13-15-11(9-18-13)3-5-16(12-1-2-12)7-10-4-6-17-8-10/h4,6,8-9,12H,1-3,5,7H2,(H2,14,15).
What are the key properties of 4-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine?
4-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine has a molecular weight of 279.43 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 65484067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).