5-(3,3-dimethylbutyl)-4-methyl-1,3-thiazol-2-amine

C10H18N2S — CID 59380858

IUPAC5-(3,3-dimethylbutyl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1CCC(C)(C)C
InChIInChI=1S/C10H18N2S/c1-7-8(13-9(11)12-7)5-6-10(2,3)4/h5-6H2,1-4H3,(H2,11,12)
InChIKeyORWQYUTUOXGOQS-UHFFFAOYSA-N
MW198.33 g/mol
LogP3.01
Rot. Bonds2

About 5-(3,3-dimethylbutyl)-4-methyl-1,3-thiazol-2-amine

5-(3,3-dimethylbutyl)-4-methyl-1,3-thiazol-2-amine (PubChem CID 59380858) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 5-(3,3-dimethylbutyl)-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(3,3-dimethylbutyl)-4-methyl-1,3-thiazol-2-amine
PubChem CID59380858
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name5-(3,3-dimethylbutyl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1CCC(C)(C)C
InChIInChI=1S/C10H18N2S/c1-7-8(13-9(11)12-7)5-6-10(2,3)4/h5-6H2,1-4H3,(H2,11,12)
InChIKeyORWQYUTUOXGOQS-UHFFFAOYSA-N
XLogP3.01
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Adamantan-1-yl-5-methyl-thiazol-2-ylamine
CID 2836058
6-Tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 2757339
5-tert-butyl-N,4-dimethyl-1,3-thiazol-2-amine
CID 2304055
4,5,6,7,8,9,10,11,12,13-Decahydrocyclododeca[d][1,3]thiazol-2-amine
CID 950890
4,4-dimethyl-4H,5H,6H-cyclopenta[d][1,3]thiazol-2-amine
CID 45496802
6-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 346922
4H,5H,6H,7H,8H-cyclohepta[d][1,3]thiazol-2-amine
CID 4362935
4-Butyl-5-propyl-1,3-thiazol-2-amine
CID 23585837
4H,5H,6H,7H,8H,9H-cycloocta[d][1,3]thiazol-2-amine
CID 3833816
4,4-Dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 11528461
6-Propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 11820020
4,5,6,7-Tetrahydro-6,6-dimethyl-2-benzothiazolamine
CID 13253394

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylbutyl)-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(3,3-dimethylbutyl)-4-methyl-1,3-thiazol-2-amine (CID 59380858) is 5-(3,3-dimethylbutyl)-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(3,3-dimethylbutyl)-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(3,3-dimethylbutyl)-4-methyl-1,3-thiazol-2-amine is Cc1nc(N)sc1CCC(C)(C)C.
What is the InChIKey of 5-(3,3-dimethylbutyl)-4-methyl-1,3-thiazol-2-amine?
The InChIKey is ORWQYUTUOXGOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-7-8(13-9(11)12-7)5-6-10(2,3)4/h5-6H2,1-4H3,(H2,11,12).
What are the key properties of 5-(3,3-dimethylbutyl)-4-methyl-1,3-thiazol-2-amine?
5-(3,3-dimethylbutyl)-4-methyl-1,3-thiazol-2-amine has a molecular weight of 198.33 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylbutyl)-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 59380858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).