3-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine

C10H16N2S — CID 115639498

IUPAC3-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
SMILESc1nc(CNCCCC2CC2)cs1
InChIInChI=1S/C10H16N2S/c1(2-9-3-4-9)5-11-6-10-7-13-8-12-10/h7-9,11H,1-6H2
InChIKeyBJHWCENGBDDMEK-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.42
Rot. Bonds6

About 3-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine

3-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine (PubChem CID 115639498) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 3-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
PubChem CID115639498
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name3-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
SMILESc1nc(CNCCCC2CC2)cs1
InChIInChI=1S/C10H16N2S/c1(2-9-3-4-9)5-11-6-10-7-13-8-12-10/h7-9,11H,1-6H2
InChIKeyBJHWCENGBDDMEK-UHFFFAOYSA-N
XLogP2.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.42
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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Related Compounds

3-piperidin-3-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 63824137
2-piperidin-4-yl-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 63825914
3-fluoro-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 115732906
4-(1,3-thiazol-4-ylmethylamino)butan-1-ol
CID 106841033
3-cyclohexyloxy-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 60696926
5-methyl-N-(1,3-thiazol-4-ylmethyl)hexan-1-amine
CID 79002634
4-(2-methoxyethoxy)-N-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 115600125
3-cyclopropyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 115654281
2-piperidin-4-yloxy-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 63902488
1-(2-methylpiperidin-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 106741088
N-(1,3-thiazol-4-ylmethyl)-3-thiophen-2-ylpropan-1-amine
CID 115883663
N-[(1-cyclopropylcyclopropyl)methyl]-1-(1,3-thiazol-4-yl)methanamine
CID 115757840

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine?
The IUPAC name of 3-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine (CID 115639498) is 3-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine?
The canonical SMILES for 3-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine is c1nc(CNCCCC2CC2)cs1.
What is the InChIKey of 3-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine?
The InChIKey is BJHWCENGBDDMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1(2-9-3-4-9)5-11-6-10-7-13-8-12-10/h7-9,11H,1-6H2.
What are the key properties of 3-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine?
3-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine has a molecular weight of 196.32 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 115639498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).