3-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]amino]propan-1-ol

C10H14N4OS2 — CID 103349556

IUPAC3-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]amino]propan-1-ol
SMILESCc1csc(-c2c(N)nsc2NCCCO)n1
InChIInChI=1S/C10H14N4OS2/c1-6-5-16-10(13-6)7-8(11)14-17-9(7)12-3-2-4-15/h5,12,15H,2-4H2,1H3,(H2,11,14)
InChIKeyGHFAYWVNBJZJEC-UHFFFAOYSA-N
MW270.38 g/mol
LogP1.95
Rot. Bonds5

About 3-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]amino]propan-1-ol

3-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]amino]propan-1-ol (PubChem CID 103349556) has the molecular formula C10H14N4OS2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]amino]propan-1-ol
PubChem CID103349556
Molecular FormulaC10H14N4OS2
Molecular Weight270.38 g/mol
Exact Mass270.06
IUPAC Name3-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]amino]propan-1-ol
SMILESCc1csc(-c2c(N)nsc2NCCCO)n1
InChIInChI=1S/C10H14N4OS2/c1-6-5-16-10(13-6)7-8(11)14-17-9(7)12-3-2-4-15/h5,12,15H,2-4H2,1H3,(H2,11,14)
InChIKeyGHFAYWVNBJZJEC-UHFFFAOYSA-N
XLogP1.95
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]amino]propan-1-ol?
The IUPAC name of 3-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]amino]propan-1-ol (CID 103349556) is 3-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]amino]propan-1-ol is Cc1csc(-c2c(N)nsc2NCCCO)n1.
What is the InChIKey of 3-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]amino]propan-1-ol?
The InChIKey is GHFAYWVNBJZJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS2/c1-6-5-16-10(13-6)7-8(11)14-17-9(7)12-3-2-4-15/h5,12,15H,2-4H2,1H3,(H2,11,14).
What are the key properties of 3-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]amino]propan-1-ol?
3-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]amino]propan-1-ol has a molecular weight of 270.38 g/mol, XLogP of 1.95, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]amino]propan-1-ol is sourced from PubChem (CID 103349556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).