N-butyl-3-propan-2-yl-1,3-thiazolidin-2-imine

C10H20N2S — CID 145121141

IUPACN-butyl-3-propan-2-yl-1,3-thiazolidin-2-imine
SMILESCCCC/N=C1\SCCN1C(C)C
InChIInChI=1S/C10H20N2S/c1-4-5-6-11-10-12(9(2)3)7-8-13-10/h9H,4-8H2,1-3H3/b11-10-
InChIKeySGIPOJIPMSAJCF-KHPPLWFESA-N
MW200.35 g/mol
LogP2.60
Rot. Bonds4

About N-butyl-3-propan-2-yl-1,3-thiazolidin-2-imine

N-butyl-3-propan-2-yl-1,3-thiazolidin-2-imine (PubChem CID 145121141) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is N-butyl-3-propan-2-yl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-butyl-3-propan-2-yl-1,3-thiazolidin-2-imine
PubChem CID145121141
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC NameN-butyl-3-propan-2-yl-1,3-thiazolidin-2-imine
SMILESCCCC/N=C1\SCCN1C(C)C
InChIInChI=1S/C10H20N2S/c1-4-5-6-11-10-12(9(2)3)7-8-13-10/h9H,4-8H2,1-3H3/b11-10-
InChIKeySGIPOJIPMSAJCF-KHPPLWFESA-N
XLogP2.60
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-3-methyl-1,3-thiazolidin-2-imine
CID 91159580
Pyrrolidino-2,4-dimethyl-1,3,5-dithiazin
CID 129890637
N,N-diethyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 12718866
5-Methyl-2-pyrrolidin-1-yl-4,5-dihydro-1,3-thiazole;hydrobromide
CID 17389266
[3-(Propan-2-yl)-1,3-thiazolidin-2-ylidene]cyanamide
CID 14893646
(3-Tert-butyl-1,3-thiazolidin-2-ylidene)cyanamide
CID 15163845
N-methyl-3-propan-2-yl-1,3-thiazolidin-2-imine
CID 89097031
5-ethyl-N,N,4-trimethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 123818803
N-(3-methylbutyl)-3-propan-2-yl-1,3-thiazolidin-2-imine
CID 132269575
N-(2-methylpropyl)-3-propan-2-yl-1,3-thiazolidin-2-imine
CID 132269580
3-cyclohexyl-N-propan-2-yl-1,3-thiazolidin-2-imine
CID 141114336
N,N-diethyl-4,5-dihydro-1,3-thiazol-2-amine;ethane
CID 143435711

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-propan-2-yl-1,3-thiazolidin-2-imine?
The IUPAC name of N-butyl-3-propan-2-yl-1,3-thiazolidin-2-imine (CID 145121141) is N-butyl-3-propan-2-yl-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-butyl-3-propan-2-yl-1,3-thiazolidin-2-imine?
The canonical SMILES for N-butyl-3-propan-2-yl-1,3-thiazolidin-2-imine is CCCC/N=C1\SCCN1C(C)C.
What is the InChIKey of N-butyl-3-propan-2-yl-1,3-thiazolidin-2-imine?
The InChIKey is SGIPOJIPMSAJCF-KHPPLWFESA-N. The full InChI is InChI=1S/C10H20N2S/c1-4-5-6-11-10-12(9(2)3)7-8-13-10/h9H,4-8H2,1-3H3/b11-10-.
What are the key properties of N-butyl-3-propan-2-yl-1,3-thiazolidin-2-imine?
N-butyl-3-propan-2-yl-1,3-thiazolidin-2-imine has a molecular weight of 200.35 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-propan-2-yl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 145121141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).