(4R,5R)-4-butyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine

C8H16N2S — CID 130879354

IUPAC(4R,5R)-4-butyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCC[C@H]1N=C(N)S[C@@H]1C
InChIInChI=1S/C8H16N2S/c1-3-4-5-7-6(2)11-8(9)10-7/h6-7H,3-5H2,1-2H3,(H2,9,10)/t6-,7-/m1/s1
InChIKeyWDQRQQOHXXGJCL-RNFRBKRXSA-N
MW172.30 g/mol
LogP2.00
Rot. Bonds3

About (4R,5R)-4-butyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine

(4R,5R)-4-butyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 130879354) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is (4R,5R)-4-butyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name(4R,5R)-4-butyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID130879354
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC Name(4R,5R)-4-butyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCC[C@H]1N=C(N)S[C@@H]1C
InChIInChI=1S/C8H16N2S/c1-3-4-5-7-6(2)11-8(9)10-7/h6-7H,3-5H2,1-2H3,(H2,9,10)/t6-,7-/m1/s1
InChIKeyWDQRQQOHXXGJCL-RNFRBKRXSA-N
XLogP2.00
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 57241657
(2S,3R,4R)-3-methyl-4-methylsulfanyl-2-pentyl-3,4-dihydro-2H-pyrrol-5-amine
CID 67622840
6-amino-2-butyl-4-methyl-2,3,4,5-tetrahydropyridin-5-ol;hydrochloride
CID 140986778
(2S,3S,4R)-5-amino-3-methyl-2-pentyl-3,4-dihydro-2H-pyrrole-4-carboxylic acid
CID 57166239
3-butyl-5-methyl-4-phenyl-4,5-dihydro-3H-pyrazole
CID 90723422
(3S,4S)-5-amino-2-pentyl-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-4-ol
CID 57162465
(2R,3R,4R)-5-amino-2-pentyl-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-4-ol
CID 67622180
4-ethyl-5-methyl-2-octyl-2,5-dihydro-1,3-thiazole
CID 6429117
5-ethyl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 134490340
(4R,5S)-5-butyl-4-methylthiolane-2-thione
CID 101170868
2,3,5,6-tetrabutyl-1,4-dithiane
CID 20721731
5-hexyl-1,2,4-thiadiazol-3-amine
CID 114754147

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-butyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of (4R,5R)-4-butyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (CID 130879354) is (4R,5R)-4-butyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for (4R,5R)-4-butyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for (4R,5R)-4-butyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is CCCC[C@H]1N=C(N)S[C@@H]1C.
What is the InChIKey of (4R,5R)-4-butyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is WDQRQQOHXXGJCL-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H16N2S/c1-3-4-5-7-6(2)11-8(9)10-7/h6-7H,3-5H2,1-2H3,(H2,9,10)/t6-,7-/m1/s1.
What are the key properties of (4R,5R)-4-butyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
(4R,5R)-4-butyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 172.30 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-butyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 130879354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).