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

C11H18N2S2 — CID 107133293

IUPACN-[1,3-thiazol-2-yl(thiolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1nccs1)C1CCSC1
InChIInChI=1S/C11H18N2S2/c1-2-4-12-10(9-3-6-14-8-9)11-13-5-7-15-11/h5,7,9-10,12H,2-4,6,8H2,1H3
InChIKeyIZWATYVITGLZJB-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.94
Rot. Bonds5

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

N-[1,3-thiazol-2-yl(thiolan-3-yl)methyl]propan-1-amine (PubChem CID 107133293) has the molecular formula C11H18N2S2 and a molecular weight of 242.41 g/mol. Its IUPAC name is N-[1,3-thiazol-2-yl(thiolan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[1,3-thiazol-2-yl(thiolan-3-yl)methyl]propan-1-amine
PubChem CID107133293
Molecular FormulaC11H18N2S2
Molecular Weight242.41 g/mol
Exact Mass242.09
IUPAC NameN-[1,3-thiazol-2-yl(thiolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1nccs1)C1CCSC1
InChIInChI=1S/C11H18N2S2/c1-2-4-12-10(9-3-6-14-8-9)11-13-5-7-15-11/h5,7,9-10,12H,2-4,6,8H2,1H3
InChIKeyIZWATYVITGLZJB-UHFFFAOYSA-N
XLogP2.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1,3-thiazol-2-yl(thiolan-3-yl)methyl]propan-2-amine
CID 107133299
N-[1,3-thiazol-2-yl(thiolan-3-yl)methyl]cyclopropanamine
CID 107133305
2-[[cyclopropyl(1,3-thiazol-2-yl)methyl]amino]ethanol
CID 46785170
N-methyl-1-(thian-3-yl)-1-(1,3-thiazol-2-yl)methanamine
CID 130518317
N-[(4-bromothiophen-3-yl)-(thiolan-3-yl)methyl]propan-1-amine
CID 105166760
N-[(2-methylphenyl)-(thiolan-3-yl)methyl]propan-1-amine
CID 105094654
N-[cyclopropyl(1,3-thiazol-2-yl)methyl]pentan-3-amine
CID 115724090
N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 46785149
N-[thiolan-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine
CID 102709683
N-[(2,4-difluorophenyl)-(thiolan-3-yl)methyl]propan-1-amine
CID 105143690
N-[(4-chloro-1-methylpyrazol-5-yl)-(thiolan-3-yl)methyl]propan-1-amine
CID 105186032
N-[1-(thiolan-3-yl)ethyl]propan-1-amine
CID 105081992

Frequently Asked Questions

What is the IUPAC name of N-[1,3-thiazol-2-yl(thiolan-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[1,3-thiazol-2-yl(thiolan-3-yl)methyl]propan-1-amine (CID 107133293) is N-[1,3-thiazol-2-yl(thiolan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[1,3-thiazol-2-yl(thiolan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[1,3-thiazol-2-yl(thiolan-3-yl)methyl]propan-1-amine is CCCNC(c1nccs1)C1CCSC1.
What is the InChIKey of N-[1,3-thiazol-2-yl(thiolan-3-yl)methyl]propan-1-amine?
The InChIKey is IZWATYVITGLZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S2/c1-2-4-12-10(9-3-6-14-8-9)11-13-5-7-15-11/h5,7,9-10,12H,2-4,6,8H2,1H3.
What are the key properties of N-[1,3-thiazol-2-yl(thiolan-3-yl)methyl]propan-1-amine?
N-[1,3-thiazol-2-yl(thiolan-3-yl)methyl]propan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-thiazol-2-yl(thiolan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 107133293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).