N,3,3-trimethyl-1-(1,3-thiazol-2-ylsulfanyl)butan-2-amine

C10H18N2S2 — CID 64626697

IUPACN,3,3-trimethyl-1-(1,3-thiazol-2-ylsulfanyl)butan-2-amine
SMILESCNC(CSc1nccs1)C(C)(C)C
InChIInChI=1S/C10H18N2S2/c1-10(2,3)8(11-4)7-14-9-12-5-6-13-9/h5-6,8,11H,7H2,1-4H3
InChIKeyCJGKLNAXGNFLBN-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.87
Rot. Bonds4

About N,3,3-trimethyl-1-(1,3-thiazol-2-ylsulfanyl)butan-2-amine

N,3,3-trimethyl-1-(1,3-thiazol-2-ylsulfanyl)butan-2-amine (PubChem CID 64626697) has the molecular formula C10H18N2S2 and a molecular weight of 230.40 g/mol. Its IUPAC name is N,3,3-trimethyl-1-(1,3-thiazol-2-ylsulfanyl)butan-2-amine.

Molecular Properties

Compound NameN,3,3-trimethyl-1-(1,3-thiazol-2-ylsulfanyl)butan-2-amine
PubChem CID64626697
Molecular FormulaC10H18N2S2
Molecular Weight230.40 g/mol
Exact Mass230.09
IUPAC NameN,3,3-trimethyl-1-(1,3-thiazol-2-ylsulfanyl)butan-2-amine
SMILESCNC(CSc1nccs1)C(C)(C)C
InChIInChI=1S/C10H18N2S2/c1-10(2,3)8(11-4)7-14-9-12-5-6-13-9/h5-6,8,11H,7H2,1-4H3
InChIKeyCJGKLNAXGNFLBN-UHFFFAOYSA-N
XLogP2.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-(1,3-thiazol-2-ylsulfanyl)butan-2-amine
CID 64626494
N-methyl-1-(1,3-thiazol-2-ylsulfanyl)pentan-2-amine
CID 64626307
1-(1,3-thiazol-2-ylsulfanyl)propan-2-amine
CID 64628516
2-(2-bromo-3,3,3-trifluoropropyl)sulfanyl-1,3-thiazole
CID 64758728
N,3,3-trimethyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-amine
CID 64650069
N,2,2-trimethyl-6-(1,3-thiazol-2-yl)hexan-3-amine
CID 79823863
N-methyl-2-(1,3-thiazol-2-ylsulfanyl)ethanamine
CID 61386152
N-methyl-1-(4-propoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine
CID 64627300
4-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]pentan-1-amine
CID 62579563
3-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]butan-2-amine
CID 62580844
1-[4-(2-methylpropyl)phenyl]-2-(1,3-thiazol-2-ylsulfanyl)ethanamine
CID 64626293
N-ethyl-5-(1,3-thiazol-2-ylsulfanyl)pentan-2-amine
CID 64626311

Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-1-(1,3-thiazol-2-ylsulfanyl)butan-2-amine?
The IUPAC name of N,3,3-trimethyl-1-(1,3-thiazol-2-ylsulfanyl)butan-2-amine (CID 64626697) is N,3,3-trimethyl-1-(1,3-thiazol-2-ylsulfanyl)butan-2-amine.
What is the SMILES notation for N,3,3-trimethyl-1-(1,3-thiazol-2-ylsulfanyl)butan-2-amine?
The canonical SMILES for N,3,3-trimethyl-1-(1,3-thiazol-2-ylsulfanyl)butan-2-amine is CNC(CSc1nccs1)C(C)(C)C.
What is the InChIKey of N,3,3-trimethyl-1-(1,3-thiazol-2-ylsulfanyl)butan-2-amine?
The InChIKey is CJGKLNAXGNFLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S2/c1-10(2,3)8(11-4)7-14-9-12-5-6-13-9/h5-6,8,11H,7H2,1-4H3.
What are the key properties of N,3,3-trimethyl-1-(1,3-thiazol-2-ylsulfanyl)butan-2-amine?
N,3,3-trimethyl-1-(1,3-thiazol-2-ylsulfanyl)butan-2-amine has a molecular weight of 230.40 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-1-(1,3-thiazol-2-ylsulfanyl)butan-2-amine is sourced from PubChem (CID 64626697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).