(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethane-1,2-diamine

C6H11N3S — CID 55296429

IUPAC(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethane-1,2-diamine
SMILESCc1nc([C@@H](N)CN)cs1
InChIInChI=1S/C6H11N3S/c1-4-9-6(3-10-4)5(8)2-7/h3,5H,2,7-8H2,1H3/t5-/m0/s1
InChIKeyUZNHKDKVSKTIHY-YFKPBYRVSA-N
MW157.24 g/mol
LogP0.41
Rot. Bonds2

About (1S)-1-(2-methyl-1,3-thiazol-4-yl)ethane-1,2-diamine

(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethane-1,2-diamine (PubChem CID 55296429) has the molecular formula C6H11N3S and a molecular weight of 157.24 g/mol. Its IUPAC name is (1S)-1-(2-methyl-1,3-thiazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethane-1,2-diamine
PubChem CID55296429
Molecular FormulaC6H11N3S
Molecular Weight157.24 g/mol
Exact Mass157.07
IUPAC Name(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethane-1,2-diamine
SMILESCc1nc([C@@H](N)CN)cs1
InChIInChI=1S/C6H11N3S/c1-4-9-6(3-10-4)5(8)2-7/h3,5H,2,7-8H2,1H3/t5-/m0/s1
InChIKeyUZNHKDKVSKTIHY-YFKPBYRVSA-N
XLogP0.41
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-2-amino-1-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 28819519
3,3,3-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
CID 112693223
(3R)-3-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid
CID 55270490
1-(2-methyl-1,3-thiazol-4-yl)heptan-1-amine
CID 105126219
4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-amine
CID 105182629
ethyl (3S)-3-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoate
CID 104862981
1-(2-methyl-1,3-thiazol-4-yl)hex-5-yn-1-amine
CID 105179634
4-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)butan-1-amine
CID 105113294
(1R,2S)-1-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 124505318
1-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-2-ol;dihydrochloride
CID 122156676
4-(dibromomethyl)-2-methyl-1,3-thiazole
CID 119088205
2-(2-methyl-1,3-thiazol-4-yl)propane-1,3-diol
CID 58328504

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-methyl-1,3-thiazol-4-yl)ethane-1,2-diamine?
The IUPAC name of (1S)-1-(2-methyl-1,3-thiazol-4-yl)ethane-1,2-diamine (CID 55296429) is (1S)-1-(2-methyl-1,3-thiazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for (1S)-1-(2-methyl-1,3-thiazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for (1S)-1-(2-methyl-1,3-thiazol-4-yl)ethane-1,2-diamine is Cc1nc([C@@H](N)CN)cs1.
What is the InChIKey of (1S)-1-(2-methyl-1,3-thiazol-4-yl)ethane-1,2-diamine?
The InChIKey is UZNHKDKVSKTIHY-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11N3S/c1-4-9-6(3-10-4)5(8)2-7/h3,5H,2,7-8H2,1H3/t5-/m0/s1.
What are the key properties of (1S)-1-(2-methyl-1,3-thiazol-4-yl)ethane-1,2-diamine?
(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethane-1,2-diamine has a molecular weight of 157.24 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-methyl-1,3-thiazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 55296429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).