N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiolan-3-amine

C12H20N2S2 — CID 115716272

IUPACN-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiolan-3-amine
SMILESCC(C)c1nc(CCNC2CCSC2)cs1
InChIInChI=1S/C12H20N2S2/c1-9(2)12-14-11(8-16-12)3-5-13-10-4-6-15-7-10/h8-10,13H,3-7H2,1-2H3
InChIKeyBMQQFXDWTYXXQY-UHFFFAOYSA-N
MW256.44 g/mol
LogP2.90
Rot. Bonds5

About N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiolan-3-amine

N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiolan-3-amine (PubChem CID 115716272) has the molecular formula C12H20N2S2 and a molecular weight of 256.44 g/mol. Its IUPAC name is N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiolan-3-amine.

Molecular Properties

Compound NameN-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiolan-3-amine
PubChem CID115716272
Molecular FormulaC12H20N2S2
Molecular Weight256.44 g/mol
Exact Mass256.11
IUPAC NameN-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiolan-3-amine
SMILESCC(C)c1nc(CCNC2CCSC2)cs1
InChIInChI=1S/C12H20N2S2/c1-9(2)12-14-11(8-16-12)3-5-13-10-4-6-15-7-10/h8-10,13H,3-7H2,1-2H3
InChIKeyBMQQFXDWTYXXQY-UHFFFAOYSA-N
XLogP2.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.44
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiolan-3-amine
CID 50972952
N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]thian-3-amine
CID 115882093
N-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine
CID 18758998
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]thiolan-3-amine
CID 63238611
N-butan-2-yl-4-[2-(cyclopropylamino)ethyl]-N-methyl-1,3-thiazol-2-amine
CID 114275792
N-[2-[2-(1-methoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine
CID 114275622
N-[2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine
CID 107925898
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]thiolan-3-amine
CID 103062804
4-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122000069
2,2-dimethyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]propan-1-amine;hydrochloride
CID 115607884
trans-(1S,3S)-3-N,3-N-dimethyl-1-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopentane-1,3-diamine
CID 97158615
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]thiolan-3-amine
CID 115729045

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiolan-3-amine?
The IUPAC name of N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiolan-3-amine (CID 115716272) is N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiolan-3-amine.
What is the SMILES notation for N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiolan-3-amine?
The canonical SMILES for N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiolan-3-amine is CC(C)c1nc(CCNC2CCSC2)cs1.
What is the InChIKey of N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiolan-3-amine?
The InChIKey is BMQQFXDWTYXXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S2/c1-9(2)12-14-11(8-16-12)3-5-13-10-4-6-15-7-10/h8-10,13H,3-7H2,1-2H3.
What are the key properties of N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiolan-3-amine?
N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiolan-3-amine has a molecular weight of 256.44 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiolan-3-amine is sourced from PubChem (CID 115716272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).