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

C11H20N2OS2 — CID 107858151

IUPACN-(1-oxothian-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)C1CSC(NC2CCS(=O)CC2)=N1
InChIInChI=1S/C11H20N2OS2/c1-8(2)10-7-15-11(13-10)12-9-3-5-16(14)6-4-9/h8-10H,3-7H2,1-2H3,(H,12,13)
InChIKeyWNELQGAPTLVNHG-UHFFFAOYSA-N
MW260.43 g/mol
LogP1.61
Rot. Bonds2

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

N-(1-oxothian-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107858151) has the molecular formula C11H20N2OS2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-(1-oxothian-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1-oxothian-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107858151
Molecular FormulaC11H20N2OS2
Molecular Weight260.43 g/mol
Exact Mass260.10
IUPAC NameN-(1-oxothian-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)C1CSC(NC2CCS(=O)CC2)=N1
InChIInChI=1S/C11H20N2OS2/c1-8(2)10-7-15-11(13-10)12-9-3-5-16(14)6-4-9/h8-10H,3-7H2,1-2H3,(H,12,13)
InChIKeyWNELQGAPTLVNHG-UHFFFAOYSA-N
XLogP1.61
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-propan-2-yl-N-(thian-3-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107858171
N-(1-ethylpiperidin-3-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 114009797
N-cycloheptyl-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351355
(4S)-N-(dicyclopropylmethyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79247412
1,1-dimethyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]hydrazine
CID 83017609
5-(2-methylpropyl)-N-(1-oxothian-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154781
N-pentan-3-yl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 107857597
N-methyl-2-[(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide
CID 107857799
(4S)-N-(2,3,4,5,6-pentafluorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 115564682
1-methyl-5-[(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]piperidin-2-one
CID 106351890
3,5-dimethyl-N-(1-oxothian-4-yl)-1-propan-2-ylpyrazol-4-amine
CID 54981682
(4S)-N-(4-methylsulfanylbutan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 114985799

Frequently Asked Questions

What is the IUPAC name of N-(1-oxothian-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(1-oxothian-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 107858151) is N-(1-oxothian-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1-oxothian-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(1-oxothian-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is CC(C)C1CSC(NC2CCS(=O)CC2)=N1.
What is the InChIKey of N-(1-oxothian-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is WNELQGAPTLVNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS2/c1-8(2)10-7-15-11(13-10)12-9-3-5-16(14)6-4-9/h8-10H,3-7H2,1-2H3,(H,12,13).
What are the key properties of N-(1-oxothian-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
N-(1-oxothian-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 260.43 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxothian-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107858151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).