2-isocyano-5-propan-2-yl-1,3-thiazole

C7H8N2S — CID 177099753

IUPAC2-isocyano-5-propan-2-yl-1,3-thiazole
SMILES[C-]#[N+]c1ncc(C(C)C)s1
InChIInChI=1S/C7H8N2S/c1-5(2)6-4-9-7(8-3)10-6/h4-5H,1-2H3
InChIKeyIVIQDMUYPXZCAQ-UHFFFAOYSA-N
MW152.22 g/mol
LogP2.82
Rot. Bonds1

About 2-isocyano-5-propan-2-yl-1,3-thiazole

2-isocyano-5-propan-2-yl-1,3-thiazole (PubChem CID 177099753) has the molecular formula C7H8N2S and a molecular weight of 152.22 g/mol. Its IUPAC name is 2-isocyano-5-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-isocyano-5-propan-2-yl-1,3-thiazole
PubChem CID177099753
Molecular FormulaC7H8N2S
Molecular Weight152.22 g/mol
Exact Mass152.04
IUPAC Name2-isocyano-5-propan-2-yl-1,3-thiazole
SMILES[C-]#[N+]c1ncc(C(C)C)s1
InChIInChI=1S/C7H8N2S/c1-5(2)6-4-9-7(8-3)10-6/h4-5H,1-2H3
InChIKeyIVIQDMUYPXZCAQ-UHFFFAOYSA-N
XLogP2.82
TPSA17.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;5-propan-2-yl-1,3-thiazol-2-amine
CID 178111483
2-tert-butyl-5-propan-2-yl-1,3-thiazole
CID 59135224
2-(1-fluoroethyl)-5-propan-2-yl-1,3-thiazole
CID 159209209
2-(4-methylpentyl)-5-propan-2-yl-1,3-thiazole
CID 58350063
2-(azetidin-3-ylmethyl)-5-propan-2-yl-1,3-thiazole
CID 105450257
N-methyl-5-propan-2-yl-1,3-thiazole-2-carboxamide
CID 166021780
2-(2,6-dimethyl-4-pyridinyl)-5-propan-2-yl-1,3-thiazole
CID 107504782
N-methyl-N-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-amine
CID 59481359
2-(3,5-dichlorophenyl)-5-propan-2-yl-1,3-thiazole
CID 107918368
1-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-ol
CID 104517036
2-(1-ethoxy-2-methylpropyl)-5-propan-2-yl-1,3-thiazole
CID 116734663
2-(2-ethoxypropan-2-yl)-5-propan-2-yl-1,3-thiazole
CID 116734658

Frequently Asked Questions

What is the IUPAC name of 2-isocyano-5-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-isocyano-5-propan-2-yl-1,3-thiazole (CID 177099753) is 2-isocyano-5-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-isocyano-5-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-isocyano-5-propan-2-yl-1,3-thiazole is [C-]#[N+]c1ncc(C(C)C)s1.
What is the InChIKey of 2-isocyano-5-propan-2-yl-1,3-thiazole?
The InChIKey is IVIQDMUYPXZCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2S/c1-5(2)6-4-9-7(8-3)10-6/h4-5H,1-2H3.
What are the key properties of 2-isocyano-5-propan-2-yl-1,3-thiazole?
2-isocyano-5-propan-2-yl-1,3-thiazole has a molecular weight of 152.22 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isocyano-5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 177099753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).