1-(2-amino-1,3-thiazol-4-yl)-3-(2-methyltetrazol-5-yl)propan-2-one

C8H10N6OS — CID 107062093

IUPAC1-(2-amino-1,3-thiazol-4-yl)-3-(2-methyltetrazol-5-yl)propan-2-one
SMILESCn1nnc(CC(=O)Cc2csc(N)n2)n1
InChIInChI=1S/C8H10N6OS/c1-14-12-7(11-13-14)3-6(15)2-5-4-16-8(9)10-5/h4H,2-3H2,1H3,(H2,9,10)
InChIKeyPBHOTNFVWVUIOX-UHFFFAOYSA-N
MW238.28 g/mol
LogP-0.40
Rot. Bonds4

About 1-(2-amino-1,3-thiazol-4-yl)-3-(2-methyltetrazol-5-yl)propan-2-one

1-(2-amino-1,3-thiazol-4-yl)-3-(2-methyltetrazol-5-yl)propan-2-one (PubChem CID 107062093) has the molecular formula C8H10N6OS and a molecular weight of 238.28 g/mol. Its IUPAC name is 1-(2-amino-1,3-thiazol-4-yl)-3-(2-methyltetrazol-5-yl)propan-2-one.

Molecular Properties

Compound Name1-(2-amino-1,3-thiazol-4-yl)-3-(2-methyltetrazol-5-yl)propan-2-one
PubChem CID107062093
Molecular FormulaC8H10N6OS
Molecular Weight238.28 g/mol
Exact Mass238.06
IUPAC Name1-(2-amino-1,3-thiazol-4-yl)-3-(2-methyltetrazol-5-yl)propan-2-one
SMILESCn1nnc(CC(=O)Cc2csc(N)n2)n1
InChIInChI=1S/C8H10N6OS/c1-14-12-7(11-13-14)3-6(15)2-5-4-16-8(9)10-5/h4H,2-3H2,1H3,(H2,9,10)
InChIKeyPBHOTNFVWVUIOX-UHFFFAOYSA-N
XLogP-0.40
TPSA99.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1,3-thiazol-4-yl)-3-(2-methyltetrazol-5-yl)propan-2-one?
The IUPAC name of 1-(2-amino-1,3-thiazol-4-yl)-3-(2-methyltetrazol-5-yl)propan-2-one (CID 107062093) is 1-(2-amino-1,3-thiazol-4-yl)-3-(2-methyltetrazol-5-yl)propan-2-one.
What is the SMILES notation for 1-(2-amino-1,3-thiazol-4-yl)-3-(2-methyltetrazol-5-yl)propan-2-one?
The canonical SMILES for 1-(2-amino-1,3-thiazol-4-yl)-3-(2-methyltetrazol-5-yl)propan-2-one is Cn1nnc(CC(=O)Cc2csc(N)n2)n1.
What is the InChIKey of 1-(2-amino-1,3-thiazol-4-yl)-3-(2-methyltetrazol-5-yl)propan-2-one?
The InChIKey is PBHOTNFVWVUIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6OS/c1-14-12-7(11-13-14)3-6(15)2-5-4-16-8(9)10-5/h4H,2-3H2,1H3,(H2,9,10).
What are the key properties of 1-(2-amino-1,3-thiazol-4-yl)-3-(2-methyltetrazol-5-yl)propan-2-one?
1-(2-amino-1,3-thiazol-4-yl)-3-(2-methyltetrazol-5-yl)propan-2-one has a molecular weight of 238.28 g/mol, XLogP of -0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-1,3-thiazol-4-yl)-3-(2-methyltetrazol-5-yl)propan-2-one is sourced from PubChem (CID 107062093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).