N-butyl-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine

C10H18N2S — CID 57162043

IUPACN-butyl-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCCNC1=NCC(C2CC2)S1
InChIInChI=1S/C10H18N2S/c1-2-3-6-11-10-12-7-9(13-10)8-4-5-8/h8-9H,2-7H2,1H3,(H,11,12)
InChIKeyCWAIABNLLDMZEK-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.26
Rot. Bonds4

About N-butyl-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine

N-butyl-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 57162043) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is N-butyl-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-butyl-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID57162043
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC NameN-butyl-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCCNC1=NCC(C2CC2)S1
InChIInChI=1S/C10H18N2S/c1-2-3-6-11-10-12-7-9(13-10)8-4-5-8/h8-9H,2-7H2,1H3,(H,11,12)
InChIKeyCWAIABNLLDMZEK-UHFFFAOYSA-N
XLogP2.26
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-butyl-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-butyl-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine (CID 57162043) is N-butyl-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-butyl-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-butyl-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine is CCCCNC1=NCC(C2CC2)S1.
What is the InChIKey of N-butyl-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is CWAIABNLLDMZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-2-3-6-11-10-12-7-9(13-10)8-4-5-8/h8-9H,2-7H2,1H3,(H,11,12).
What are the key properties of N-butyl-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine?
N-butyl-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 198.33 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 57162043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).