4-(3-aminopropylsulfanylmethyl)-1,3-thiazol-2-amine

C7H13N3S2 — CID 66219976

IUPAC4-(3-aminopropylsulfanylmethyl)-1,3-thiazol-2-amine
SMILESNCCCSCc1csc(N)n1
InChIInChI=1S/C7H13N3S2/c8-2-1-3-11-4-6-5-12-7(9)10-6/h5H,1-4,8H2,(H2,9,10)
InChIKeyMKFCBGYDGQPZFS-UHFFFAOYSA-N
MW203.34 g/mol
LogP1.31
Rot. Bonds5

About 4-(3-aminopropylsulfanylmethyl)-1,3-thiazol-2-amine

4-(3-aminopropylsulfanylmethyl)-1,3-thiazol-2-amine (PubChem CID 66219976) has the molecular formula C7H13N3S2 and a molecular weight of 203.34 g/mol. Its IUPAC name is 4-(3-aminopropylsulfanylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3-aminopropylsulfanylmethyl)-1,3-thiazol-2-amine
PubChem CID66219976
Molecular FormulaC7H13N3S2
Molecular Weight203.34 g/mol
Exact Mass203.06
IUPAC Name4-(3-aminopropylsulfanylmethyl)-1,3-thiazol-2-amine
SMILESNCCCSCc1csc(N)n1
InChIInChI=1S/C7H13N3S2/c8-2-1-3-11-4-6-5-12-7(9)10-6/h5H,1-4,8H2,(H2,9,10)
InChIKeyMKFCBGYDGQPZFS-UHFFFAOYSA-N
XLogP1.31
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(3-aminopropylsulfanylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(3-aminopropylsulfanylmethyl)-1,3-thiazol-2-amine (CID 66219976) is 4-(3-aminopropylsulfanylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3-aminopropylsulfanylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3-aminopropylsulfanylmethyl)-1,3-thiazol-2-amine is NCCCSCc1csc(N)n1.
What is the InChIKey of 4-(3-aminopropylsulfanylmethyl)-1,3-thiazol-2-amine?
The InChIKey is MKFCBGYDGQPZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S2/c8-2-1-3-11-4-6-5-12-7(9)10-6/h5H,1-4,8H2,(H2,9,10).
What are the key properties of 4-(3-aminopropylsulfanylmethyl)-1,3-thiazol-2-amine?
4-(3-aminopropylsulfanylmethyl)-1,3-thiazol-2-amine has a molecular weight of 203.34 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropylsulfanylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 66219976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).