5-cyclopropyl-N-(3-methylbutyl)-4,5-dihydro-1,3-thiazol-2-amine

C11H20N2S — CID 63296422

IUPAC5-cyclopropyl-N-(3-methylbutyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CCNC1=NCC(C2CC2)S1
InChIInChI=1S/C11H20N2S/c1-8(2)5-6-12-11-13-7-10(14-11)9-3-4-9/h8-10H,3-7H2,1-2H3,(H,12,13)
InChIKeyKUNIYJDSLSUUQD-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.50
Rot. Bonds4

About 5-cyclopropyl-N-(3-methylbutyl)-4,5-dihydro-1,3-thiazol-2-amine

5-cyclopropyl-N-(3-methylbutyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 63296422) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 5-cyclopropyl-N-(3-methylbutyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-(3-methylbutyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID63296422
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name5-cyclopropyl-N-(3-methylbutyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CCNC1=NCC(C2CC2)S1
InChIInChI=1S/C11H20N2S/c1-8(2)5-6-12-11-13-7-10(14-11)9-3-4-9/h8-10H,3-7H2,1-2H3,(H,12,13)
InChIKeyKUNIYJDSLSUUQD-UHFFFAOYSA-N
XLogP2.50
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-hexyl-4,5-dihydro-1,3-thiazol-2-amine
CID 4236807
N-(5-methylheptyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 3705369
N-Isobutyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 383601
5-cyclopropyl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63296749
5-cyclopropyl-N-(3,3,3-trifluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63297490
5-cyclopropyl-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943239
5-pentan-3-yl-N-(3,3,3-trifluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 106285251
N-(2,2-difluoroethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285500
5-pentan-3-yl-N-(4,4,4-trifluorobutyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 106285501
5-pentan-3-yl-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 106285502
5-cyclopropyl-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 106294921
5-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 106431799

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(3-methylbutyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-(3-methylbutyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 63296422) is 5-cyclopropyl-N-(3-methylbutyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-(3-methylbutyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-(3-methylbutyl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)CCNC1=NCC(C2CC2)S1.
What is the InChIKey of 5-cyclopropyl-N-(3-methylbutyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is KUNIYJDSLSUUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-8(2)5-6-12-11-13-7-10(14-11)9-3-4-9/h8-10H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 5-cyclopropyl-N-(3-methylbutyl)-4,5-dihydro-1,3-thiazol-2-amine?
5-cyclopropyl-N-(3-methylbutyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 212.36 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(3-methylbutyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 63296422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).