4-propan-2-yl-N-(thian-3-yl)-4,5-dihydro-1,3-thiazol-2-amine

C11H20N2S2 — CID 107858171

IUPAC4-propan-2-yl-N-(thian-3-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)C1CSC(NC2CCCSC2)=N1
InChIInChI=1S/C11H20N2S2/c1-8(2)10-7-15-11(13-10)12-9-4-3-5-14-6-9/h8-10H,3-7H2,1-2H3,(H,12,13)
InChIKeyOQEFWPVOQUUHEO-UHFFFAOYSA-N
MW244.43 g/mol
LogP2.60
Rot. Bonds2

About 4-propan-2-yl-N-(thian-3-yl)-4,5-dihydro-1,3-thiazol-2-amine

4-propan-2-yl-N-(thian-3-yl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107858171) has the molecular formula C11H20N2S2 and a molecular weight of 244.43 g/mol. Its IUPAC name is 4-propan-2-yl-N-(thian-3-yl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-propan-2-yl-N-(thian-3-yl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107858171
Molecular FormulaC11H20N2S2
Molecular Weight244.43 g/mol
Exact Mass244.11
IUPAC Name4-propan-2-yl-N-(thian-3-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)C1CSC(NC2CCCSC2)=N1
InChIInChI=1S/C11H20N2S2/c1-8(2)10-7-15-11(13-10)12-9-4-3-5-14-6-9/h8-10H,3-7H2,1-2H3,(H,12,13)
InChIKeyOQEFWPVOQUUHEO-UHFFFAOYSA-N
XLogP2.60
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.43
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351355
N-(1-oxothian-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 107858151
N-(1-ethylpiperidin-3-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 114009797
(4S)-N-(dicyclopropylmethyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79247412
N-(thiolan-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
CID 106363783
N-pentan-3-yl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 107857597
4-chloro-2-propan-2-yl-5-(thian-3-ylamino)pyridazin-3-one
CID 114442995
4-ethyl-N-(thiolan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 103063789
(4S)-N-(2,3,4,5,6-pentafluorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 115564682
N-(2-propan-2-yloxyphenyl)thian-3-amine
CID 62871809
(4S)-N-phenyl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 11241486
N-methylthian-3-amine;hydrochloride
CID 86811695

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-(thian-3-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-propan-2-yl-N-(thian-3-yl)-4,5-dihydro-1,3-thiazol-2-amine (CID 107858171) is 4-propan-2-yl-N-(thian-3-yl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-propan-2-yl-N-(thian-3-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-propan-2-yl-N-(thian-3-yl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)C1CSC(NC2CCCSC2)=N1.
What is the InChIKey of 4-propan-2-yl-N-(thian-3-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is OQEFWPVOQUUHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S2/c1-8(2)10-7-15-11(13-10)12-9-4-3-5-14-6-9/h8-10H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 4-propan-2-yl-N-(thian-3-yl)-4,5-dihydro-1,3-thiazol-2-amine?
4-propan-2-yl-N-(thian-3-yl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 244.43 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-(thian-3-yl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107858171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).