5-N-(1-cyclopropylethyl)-4-methyl-1,2-thiazole-3,5-diamine

C9H15N3S — CID 103364006

IUPAC5-N-(1-cyclopropylethyl)-4-methyl-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NC(C)C1CC1
InChIInChI=1S/C9H15N3S/c1-5-8(10)12-13-9(5)11-6(2)7-3-4-7/h6-7,11H,3-4H2,1-2H3,(H2,10,12)
InChIKeyKINXJLRJQSTTMN-UHFFFAOYSA-N
MW197.31 g/mol
LogP2.24
Rot. Bonds3

About 5-N-(1-cyclopropylethyl)-4-methyl-1,2-thiazole-3,5-diamine

5-N-(1-cyclopropylethyl)-4-methyl-1,2-thiazole-3,5-diamine (PubChem CID 103364006) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 5-N-(1-cyclopropylethyl)-4-methyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(1-cyclopropylethyl)-4-methyl-1,2-thiazole-3,5-diamine
PubChem CID103364006
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name5-N-(1-cyclopropylethyl)-4-methyl-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NC(C)C1CC1
InChIInChI=1S/C9H15N3S/c1-5-8(10)12-13-9(5)11-6(2)7-3-4-7/h6-7,11H,3-4H2,1-2H3,(H2,10,12)
InChIKeyKINXJLRJQSTTMN-UHFFFAOYSA-N
XLogP2.24
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-5-N-(thian-4-yl)-1,2-thiazole-3,5-diamine
CID 103365642
5-N-(1-cyclohexylethyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine
CID 103360972
5-N-[1-(dimethylamino)propan-2-yl]-4-methyl-1,2-thiazole-3,5-diamine
CID 103364802
5-N-(1-cyclobutylethyl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103365777
5-N-[4-(dimethylamino)butan-2-yl]-4-methyl-1,2-thiazole-3,5-diamine
CID 103360138
5-N-(3,4-dimethylcyclohexyl)-4-methyl-1,2-thiazole-3,5-diamine
CID 103359759
5-N-(cyclohexylmethyl)-4-methyl-1,2-thiazole-3,5-diamine
CID 103363934
4-methyl-5-N-(3-methylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103363914
5-(2,2-dimethylhydrazinyl)-4-methyl-1,2-thiazol-3-amine
CID 103364838
2-[(3-amino-4-methyl-1,2-thiazol-5-yl)amino]-N-ethyl-N-methylpropanamide
CID 103365951
4-N-(1-cyclopropylethyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80993489
3-methyl-5-[1-(oxan-4-yl)ethylamino]-1,2-thiazole-4-carbonitrile
CID 114115350

Frequently Asked Questions

What is the IUPAC name of 5-N-(1-cyclopropylethyl)-4-methyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(1-cyclopropylethyl)-4-methyl-1,2-thiazole-3,5-diamine (CID 103364006) is 5-N-(1-cyclopropylethyl)-4-methyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(1-cyclopropylethyl)-4-methyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(1-cyclopropylethyl)-4-methyl-1,2-thiazole-3,5-diamine is Cc1c(N)nsc1NC(C)C1CC1.
What is the InChIKey of 5-N-(1-cyclopropylethyl)-4-methyl-1,2-thiazole-3,5-diamine?
The InChIKey is KINXJLRJQSTTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-5-8(10)12-13-9(5)11-6(2)7-3-4-7/h6-7,11H,3-4H2,1-2H3,(H2,10,12).
What are the key properties of 5-N-(1-cyclopropylethyl)-4-methyl-1,2-thiazole-3,5-diamine?
5-N-(1-cyclopropylethyl)-4-methyl-1,2-thiazole-3,5-diamine has a molecular weight of 197.31 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1-cyclopropylethyl)-4-methyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103364006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).