4-(2-propan-2-yl-1,3-thiazol-4-yl)butan-2-imine

C10H16N2S — CID 163539430

IUPAC4-(2-propan-2-yl-1,3-thiazol-4-yl)butan-2-imine
SMILES[H]/N=C(\C)CCc1csc(C(C)C)n1
InChIInChI=1S/C10H16N2S/c1-7(2)10-12-9(6-13-10)5-4-8(3)11/h6-7,11H,4-5H2,1-3H3/b11-8+
InChIKeyDZVPCDZJDCWWPK-DHZHZOJOSA-N
MW196.32 g/mol
LogP3.24
Rot. Bonds4

About 4-(2-propan-2-yl-1,3-thiazol-4-yl)butan-2-imine

4-(2-propan-2-yl-1,3-thiazol-4-yl)butan-2-imine (PubChem CID 163539430) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 4-(2-propan-2-yl-1,3-thiazol-4-yl)butan-2-imine.

Molecular Properties

Compound Name4-(2-propan-2-yl-1,3-thiazol-4-yl)butan-2-imine
PubChem CID163539430
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name4-(2-propan-2-yl-1,3-thiazol-4-yl)butan-2-imine
SMILES[H]/N=C(\C)CCc1csc(C(C)C)n1
InChIInChI=1S/C10H16N2S/c1-7(2)10-12-9(6-13-10)5-4-8(3)11/h6-7,11H,4-5H2,1-3H3/b11-8+
InChIKeyDZVPCDZJDCWWPK-DHZHZOJOSA-N
XLogP3.24
TPSA36.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine
CID 18758998
4-(methylsulfonylmethyl)-2-propan-2-yl-1,3-thiazole
CID 52602693
N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine;hydrochloride
CID 11622565
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]butanamide
CID 110728040
2-amino-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride
CID 119869470
2,2-dimethyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]propan-1-amine;hydrochloride
CID 115607884
butanedioic acid;bis(N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine)
CID 11612288
3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propanoic acid
CID 61229647
1-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol
CID 62334490
methyl N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamate
CID 110728086
1-(2-ethoxyethyl)-2-methyl-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111897013
5-acetyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiophene-3-carboxamide
CID 118770282

Frequently Asked Questions

What is the IUPAC name of 4-(2-propan-2-yl-1,3-thiazol-4-yl)butan-2-imine?
The IUPAC name of 4-(2-propan-2-yl-1,3-thiazol-4-yl)butan-2-imine (CID 163539430) is 4-(2-propan-2-yl-1,3-thiazol-4-yl)butan-2-imine.
What is the SMILES notation for 4-(2-propan-2-yl-1,3-thiazol-4-yl)butan-2-imine?
The canonical SMILES for 4-(2-propan-2-yl-1,3-thiazol-4-yl)butan-2-imine is [H]/N=C(\C)CCc1csc(C(C)C)n1.
What is the InChIKey of 4-(2-propan-2-yl-1,3-thiazol-4-yl)butan-2-imine?
The InChIKey is DZVPCDZJDCWWPK-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H16N2S/c1-7(2)10-12-9(6-13-10)5-4-8(3)11/h6-7,11H,4-5H2,1-3H3/b11-8+.
What are the key properties of 4-(2-propan-2-yl-1,3-thiazol-4-yl)butan-2-imine?
4-(2-propan-2-yl-1,3-thiazol-4-yl)butan-2-imine has a molecular weight of 196.32 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propan-2-yl-1,3-thiazol-4-yl)butan-2-imine is sourced from PubChem (CID 163539430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).