4-[2-(cyclopropylmethylamino)ethyl]-1,3-thiazol-2-amine

C9H15N3S — CID 65438540

IUPAC4-[2-(cyclopropylmethylamino)ethyl]-1,3-thiazol-2-amine
SMILESNc1nc(CCNCC2CC2)cs1
InChIInChI=1S/C9H15N3S/c10-9-12-8(6-13-9)3-4-11-5-7-1-2-7/h6-7,11H,1-5H2,(H2,10,12)
InChIKeyZGEVNDIDDHRCBM-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.27
Rot. Bonds5

About 4-[2-(cyclopropylmethylamino)ethyl]-1,3-thiazol-2-amine

4-[2-(cyclopropylmethylamino)ethyl]-1,3-thiazol-2-amine (PubChem CID 65438540) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 4-[2-(cyclopropylmethylamino)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-(cyclopropylmethylamino)ethyl]-1,3-thiazol-2-amine
PubChem CID65438540
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name4-[2-(cyclopropylmethylamino)ethyl]-1,3-thiazol-2-amine
SMILESNc1nc(CCNCC2CC2)cs1
InChIInChI=1S/C9H15N3S/c10-9-12-8(6-13-9)3-4-11-5-7-1-2-7/h6-7,11H,1-5H2,(H2,10,12)
InChIKeyZGEVNDIDDHRCBM-UHFFFAOYSA-N
XLogP1.27
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.27
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 4-[2-(cyclopropylmethylamino)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-(cyclopropylmethylamino)ethyl]-1,3-thiazol-2-amine (CID 65438540) is 4-[2-(cyclopropylmethylamino)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-(cyclopropylmethylamino)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-(cyclopropylmethylamino)ethyl]-1,3-thiazol-2-amine is Nc1nc(CCNCC2CC2)cs1.
What is the InChIKey of 4-[2-(cyclopropylmethylamino)ethyl]-1,3-thiazol-2-amine?
The InChIKey is ZGEVNDIDDHRCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c10-9-12-8(6-13-9)3-4-11-5-7-1-2-7/h6-7,11H,1-5H2,(H2,10,12).
What are the key properties of 4-[2-(cyclopropylmethylamino)ethyl]-1,3-thiazol-2-amine?
4-[2-(cyclopropylmethylamino)ethyl]-1,3-thiazol-2-amine has a molecular weight of 197.31 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopropylmethylamino)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 65438540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).