1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-propan-2-yltriazol-4-amine

C11H17N5S — CID 79543224

IUPAC1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-propan-2-yltriazol-4-amine
SMILESCc1ncsc1CCn1nnc(N)c1C(C)C
InChIInChI=1S/C11H17N5S/c1-7(2)10-11(12)14-15-16(10)5-4-9-8(3)13-6-17-9/h6-7H,4-5,12H2,1-3H3
InChIKeyMEAFYRIAXZABHP-UHFFFAOYSA-N
MW251.36 g/mol
LogP1.99
Rot. Bonds4

About 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-propan-2-yltriazol-4-amine

1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-propan-2-yltriazol-4-amine (PubChem CID 79543224) has the molecular formula C11H17N5S and a molecular weight of 251.36 g/mol. Its IUPAC name is 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-propan-2-yltriazol-4-amine.

Molecular Properties

Compound Name1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-propan-2-yltriazol-4-amine
PubChem CID79543224
Molecular FormulaC11H17N5S
Molecular Weight251.36 g/mol
Exact Mass251.12
IUPAC Name1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-propan-2-yltriazol-4-amine
SMILESCc1ncsc1CCn1nnc(N)c1C(C)C
InChIInChI=1S/C11H17N5S/c1-7(2)10-11(12)14-15-16(10)5-4-9-8(3)13-6-17-9/h6-7H,4-5,12H2,1-3H3
InChIKeyMEAFYRIAXZABHP-UHFFFAOYSA-N
XLogP1.99
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-propan-2-yltriazole-4-carboxylate
CID 102643957
ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]tetrazole-5-carboxylate
CID 79318244
4-methyl-5-(2-pyrrol-1-ylethyl)-1,3-thiazole
CID 63812266
2-(4-methyl-1,3-thiazol-5-yl)ethanethiol
CID 18690003
2-(4-methyl-1,3-thiazol-5-yl)ethanamine;dihydrobromide
CID 53398787
5-(3-bromopropyl)-4-methyl-1,3-thiazole
CID 71755982
5-(2-iodoethyl)-4-methyl-1,3-thiazole
CID 3031968
1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]triazole-4-carboxylic acid
CID 62070666
2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-2-amine
CID 65015632
O-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 11228942
1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2,4-dione
CID 130881330
3-methyl-5-(4-methyl-1,3-thiazol-5-yl)pentan-2-ol
CID 79424726

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-propan-2-yltriazol-4-amine?
The IUPAC name of 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-propan-2-yltriazol-4-amine (CID 79543224) is 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-propan-2-yltriazol-4-amine.
What is the SMILES notation for 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-propan-2-yltriazol-4-amine?
The canonical SMILES for 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-propan-2-yltriazol-4-amine is Cc1ncsc1CCn1nnc(N)c1C(C)C.
What is the InChIKey of 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-propan-2-yltriazol-4-amine?
The InChIKey is MEAFYRIAXZABHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5S/c1-7(2)10-11(12)14-15-16(10)5-4-9-8(3)13-6-17-9/h6-7H,4-5,12H2,1-3H3.
What are the key properties of 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-propan-2-yltriazol-4-amine?
1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-propan-2-yltriazol-4-amine has a molecular weight of 251.36 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-propan-2-yltriazol-4-amine is sourced from PubChem (CID 79543224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).