N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-(thiolan-2-yl)methanamine

C12H18N2S2 — CID 115690921

IUPACN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-(thiolan-2-yl)methanamine
SMILESc1sc(C2CC2)nc1CNCC1CCCS1
InChIInChI=1S/C12H18N2S2/c1-2-11(15-5-1)7-13-6-10-8-16-12(14-10)9-3-4-9/h8-9,11,13H,1-7H2
InChIKeyNEEZDYGHEJRETB-UHFFFAOYSA-N
MW254.42 g/mol
LogP3.01
Rot. Bonds5

About N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-(thiolan-2-yl)methanamine

N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-(thiolan-2-yl)methanamine (PubChem CID 115690921) has the molecular formula C12H18N2S2 and a molecular weight of 254.42 g/mol. Its IUPAC name is N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-(thiolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-(thiolan-2-yl)methanamine
PubChem CID115690921
Molecular FormulaC12H18N2S2
Molecular Weight254.42 g/mol
Exact Mass254.09
IUPAC NameN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-(thiolan-2-yl)methanamine
SMILESc1sc(C2CC2)nc1CNCC1CCCS1
InChIInChI=1S/C12H18N2S2/c1-2-11(15-5-1)7-13-6-10-8-16-12(14-10)9-3-4-9/h8-9,11,13H,1-7H2
InChIKeyNEEZDYGHEJRETB-UHFFFAOYSA-N
XLogP3.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61281051
N-[(4-cyclopropylphenyl)methyl]-1-(thiolan-2-yl)methanamine
CID 80584022
3-cyclopropyl-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 115639509
N-[(6-bromo-2-pyridinyl)methyl]-1-(thiolan-2-yl)methanamine
CID 112582518
1-cyclopentyl-2-[(2-cyclopropyl-1,3-thiazol-4-yl)methylamino]ethanol
CID 111425440
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-methylbutan-2-amine
CID 115625561
1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]methanamine
CID 129001955
1-(2-cyclohexyl-1,3-thiazol-4-yl)-N-methylmethanamine
CID 61280857
N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 61280289
N-[(2-cyclobutyl-1,3-thiazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine
CID 97178754
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine
CID 154769536
2-[(2-cyclopropyl-1,3-thiazol-4-yl)methylamino]propan-1-ol
CID 115656408

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-(thiolan-2-yl)methanamine?
The IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-(thiolan-2-yl)methanamine (CID 115690921) is N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-(thiolan-2-yl)methanamine.
What is the SMILES notation for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-(thiolan-2-yl)methanamine?
The canonical SMILES for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-(thiolan-2-yl)methanamine is c1sc(C2CC2)nc1CNCC1CCCS1.
What is the InChIKey of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-(thiolan-2-yl)methanamine?
The InChIKey is NEEZDYGHEJRETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S2/c1-2-11(15-5-1)7-13-6-10-8-16-12(14-10)9-3-4-9/h8-9,11,13H,1-7H2.
What are the key properties of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-(thiolan-2-yl)methanamine?
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-(thiolan-2-yl)methanamine has a molecular weight of 254.42 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-(thiolan-2-yl)methanamine is sourced from PubChem (CID 115690921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).