4-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propyl]-1,3-thiazolidin-2-imine

C12H19N3S2 — CID 136896936

IUPAC4-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propyl]-1,3-thiazolidin-2-imine
SMILESCC(C/N=C1/NC(C(C)C)CS1)c1nccs1
InChIInChI=1S/C12H19N3S2/c1-8(2)10-7-17-12(15-10)14-6-9(3)11-13-4-5-16-11/h4-5,8-10H,6-7H2,1-3H3,(H,14,15)
InChIKeyQFHIFBYJNNCCSK-UHFFFAOYSA-N
MW269.44 g/mol
LogP2.96
Rot. Bonds4

About 4-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propyl]-1,3-thiazolidin-2-imine

4-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propyl]-1,3-thiazolidin-2-imine (PubChem CID 136896936) has the molecular formula C12H19N3S2 and a molecular weight of 269.44 g/mol. Its IUPAC name is 4-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propyl]-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name4-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propyl]-1,3-thiazolidin-2-imine
PubChem CID136896936
Molecular FormulaC12H19N3S2
Molecular Weight269.44 g/mol
Exact Mass269.10
IUPAC Name4-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propyl]-1,3-thiazolidin-2-imine
SMILESCC(C/N=C1/NC(C(C)C)CS1)c1nccs1
InChIInChI=1S/C12H19N3S2/c1-8(2)10-7-17-12(15-10)14-6-9(3)11-13-4-5-16-11/h4-5,8-10H,6-7H2,1-3H3,(H,14,15)
InChIKeyQFHIFBYJNNCCSK-UHFFFAOYSA-N
XLogP2.96
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1,3-thiazol-2-yl)propyl]-3-thia-1-azaspiro[4.4]nonan-2-imine
CID 136896924
N-propan-2-yl-N-[2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]ethyl]propan-2-amine
CID 136871648
2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]acetamide
CID 136871645
1-(1,3-thiazol-2-yl)-N-(thiolan-2-ylmethyl)ethanamine
CID 80584011
N-[(5-chlorothiophen-2-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136871812
2-(1-bromopropan-2-yl)-1,3-thiazole
CID 66470662
N-(2-methylbutyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848231
(4S)-N-(3-butoxypropyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136949409
2-(1-methoxypropan-2-yl)-1,3-thiazole
CID 162112968
1-cyclopropyl-N-[2-(1,3-thiazol-2-yl)propyl]propan-2-amine
CID 104584982
N-[[5-(aminomethyl)oxolan-2-yl]methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 114128154
N-[2-(1-methylimidazol-2-yl)ethyl]-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136993355

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propyl]-1,3-thiazolidin-2-imine?
The IUPAC name of 4-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propyl]-1,3-thiazolidin-2-imine (CID 136896936) is 4-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propyl]-1,3-thiazolidin-2-imine.
What is the SMILES notation for 4-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propyl]-1,3-thiazolidin-2-imine?
The canonical SMILES for 4-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propyl]-1,3-thiazolidin-2-imine is CC(C/N=C1/NC(C(C)C)CS1)c1nccs1.
What is the InChIKey of 4-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propyl]-1,3-thiazolidin-2-imine?
The InChIKey is QFHIFBYJNNCCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S2/c1-8(2)10-7-17-12(15-10)14-6-9(3)11-13-4-5-16-11/h4-5,8-10H,6-7H2,1-3H3,(H,14,15).
What are the key properties of 4-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propyl]-1,3-thiazolidin-2-imine?
4-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propyl]-1,3-thiazolidin-2-imine has a molecular weight of 269.44 g/mol, XLogP of 2.96, 4 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-[2-(1,3-thiazol-2-yl)propyl]-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136896936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).