N-[cyclopropyl(thiophen-2-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine

C14H18N2S2 — CID 104584966

IUPACN-[cyclopropyl(thiophen-2-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
SMILESCC(CNC(c1cccs1)C1CC1)c1nccs1
InChIInChI=1S/C14H18N2S2/c1-10(14-15-6-8-18-14)9-16-13(11-4-5-11)12-3-2-7-17-12/h2-3,6-8,10-11,13,16H,4-5,9H2,1H3
InChIKeyCWXSSGCDQGTRLT-UHFFFAOYSA-N
MW278.45 g/mol
LogP4.05
Rot. Bonds6

About N-[cyclopropyl(thiophen-2-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine

N-[cyclopropyl(thiophen-2-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine (PubChem CID 104584966) has the molecular formula C14H18N2S2 and a molecular weight of 278.45 g/mol. Its IUPAC name is N-[cyclopropyl(thiophen-2-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-[cyclopropyl(thiophen-2-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
PubChem CID104584966
Molecular FormulaC14H18N2S2
Molecular Weight278.45 g/mol
Exact Mass278.09
IUPAC NameN-[cyclopropyl(thiophen-2-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
SMILESCC(CNC(c1cccs1)C1CC1)c1nccs1
InChIInChI=1S/C14H18N2S2/c1-10(14-15-6-8-18-14)9-16-13(11-4-5-11)12-3-2-7-17-12/h2-3,6-8,10-11,13,16H,4-5,9H2,1H3
InChIKeyCWXSSGCDQGTRLT-UHFFFAOYSA-N
XLogP4.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.45
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-[2-(1,3-thiazol-2-yl)propyl]propan-2-amine
CID 104584982
N-[cyclopropyl(thiophen-2-yl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine
CID 63981496
4-[[cyclopropyl(thiophen-2-yl)methyl]amino]-3-methylbutan-1-ol
CID 66091284
N-[cyclopropyl(thiophen-2-yl)methyl]propan-1-amine
CID 43495964
1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylmethanamine
CID 60713993
2-(1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 104588791
N-[cyclopropyl(thiophen-2-yl)methyl]propan-2-amine
CID 60713978
N-[cyclopentyl(thiophen-2-yl)methyl]-2,2-dimethoxyethanamine
CID 60816179
N-[1-(furan-2-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104585128
1-phenyl-N-[2-(1,3-thiazol-2-yl)propyl]propan-1-amine
CID 113429643
3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-2-methylpropane-1,2-diol
CID 66169808
N-[2-(1,3-thiazol-2-yl)propyl]-2,3-dihydro-1H-inden-2-amine
CID 104585038

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(thiophen-2-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of N-[cyclopropyl(thiophen-2-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine (CID 104584966) is N-[cyclopropyl(thiophen-2-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for N-[cyclopropyl(thiophen-2-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for N-[cyclopropyl(thiophen-2-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine is CC(CNC(c1cccs1)C1CC1)c1nccs1.
What is the InChIKey of N-[cyclopropyl(thiophen-2-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is CWXSSGCDQGTRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S2/c1-10(14-15-6-8-18-14)9-16-13(11-4-5-11)12-3-2-7-17-12/h2-3,6-8,10-11,13,16H,4-5,9H2,1H3.
What are the key properties of N-[cyclopropyl(thiophen-2-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
N-[cyclopropyl(thiophen-2-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 278.45 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(thiophen-2-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 104584966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).