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

C9H17N3S — CID 87904293

IUPAC4-methyl-5-[1-(propan-2-ylamino)ethyl]-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1C(C)NC(C)C
InChIInChI=1S/C9H17N3S/c1-5(2)11-6(3)8-7(4)12-9(10)13-8/h5-6,11H,1-4H3,(H2,10,12)
InChIKeyGUYQYKLBXINFBU-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.09
Rot. Bonds3

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

4-methyl-5-[1-(propan-2-ylamino)ethyl]-1,3-thiazol-2-amine (PubChem CID 87904293) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is 4-methyl-5-[1-(propan-2-ylamino)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-[1-(propan-2-ylamino)ethyl]-1,3-thiazol-2-amine
PubChem CID87904293
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC Name4-methyl-5-[1-(propan-2-ylamino)ethyl]-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1C(C)NC(C)C
InChIInChI=1S/C9H17N3S/c1-5(2)11-6(3)8-7(4)12-9(10)13-8/h5-6,11H,1-4H3,(H2,10,12)
InChIKeyGUYQYKLBXINFBU-UHFFFAOYSA-N
XLogP2.09
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[1-(propan-2-ylamino)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-[1-(propan-2-ylamino)ethyl]-1,3-thiazol-2-amine (CID 87904293) is 4-methyl-5-[1-(propan-2-ylamino)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-[1-(propan-2-ylamino)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-[1-(propan-2-ylamino)ethyl]-1,3-thiazol-2-amine is Cc1nc(N)sc1C(C)NC(C)C.
What is the InChIKey of 4-methyl-5-[1-(propan-2-ylamino)ethyl]-1,3-thiazol-2-amine?
The InChIKey is GUYQYKLBXINFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-5(2)11-6(3)8-7(4)12-9(10)13-8/h5-6,11H,1-4H3,(H2,10,12).
What are the key properties of 4-methyl-5-[1-(propan-2-ylamino)ethyl]-1,3-thiazol-2-amine?
4-methyl-5-[1-(propan-2-ylamino)ethyl]-1,3-thiazol-2-amine has a molecular weight of 199.32 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[1-(propan-2-ylamino)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 87904293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).