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

C10H13N3OS2 — CID 63839657

IUPAC[2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazol-5-yl]methanol
SMILESCc1ncsc1CN(C)c1ncc(CO)s1
InChIInChI=1S/C10H13N3OS2/c1-7-9(15-6-12-7)4-13(2)10-11-3-8(5-14)16-10/h3,6,14H,4-5H2,1-2H3
InChIKeySBQBSNSEMGDDFF-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.04
Rot. Bonds4

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

[2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazol-5-yl]methanol (PubChem CID 63839657) has the molecular formula C10H13N3OS2 and a molecular weight of 255.37 g/mol. Its IUPAC name is [2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazol-5-yl]methanol
PubChem CID63839657
Molecular FormulaC10H13N3OS2
Molecular Weight255.37 g/mol
Exact Mass255.05
IUPAC Name[2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazol-5-yl]methanol
SMILESCc1ncsc1CN(C)c1ncc(CO)s1
InChIInChI=1S/C10H13N3OS2/c1-7-9(15-6-12-7)4-13(2)10-11-3-8(5-14)16-10/h3,6,14H,4-5H2,1-2H3
InChIKeySBQBSNSEMGDDFF-UHFFFAOYSA-N
XLogP2.04
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazol-5-yl]methanol (CID 63839657) is [2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazol-5-yl]methanol is Cc1ncsc1CN(C)c1ncc(CO)s1.
What is the InChIKey of [2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazol-5-yl]methanol?
The InChIKey is SBQBSNSEMGDDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS2/c1-7-9(15-6-12-7)4-13(2)10-11-3-8(5-14)16-10/h3,6,14H,4-5H2,1-2H3.
What are the key properties of [2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazol-5-yl]methanol?
[2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazol-5-yl]methanol has a molecular weight of 255.37 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 63839657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).