2-[2-(methylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol

C12H10N4OS — CID 24804068

IUPAC2-[2-(methylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol
SMILESCNc1ncc(-c2nc3ccc(O)cc3s2)cn1
InChIInChI=1S/C12H10N4OS/c1-13-12-14-5-7(6-15-12)11-16-9-3-2-8(17)4-10(9)18-11/h2-6,17H,1H3,(H,13,14,15)
InChIKeyXWIYHNUKKMYQKU-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.50
Rot. Bonds2

About 2-[2-(methylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol

2-[2-(methylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol (PubChem CID 24804068) has the molecular formula C12H10N4OS and a molecular weight of 258.31 g/mol. Its IUPAC name is 2-[2-(methylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol.

Molecular Properties

Compound Name2-[2-(methylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol
PubChem CID24804068
Molecular FormulaC12H10N4OS
Molecular Weight258.31 g/mol
Exact Mass258.06
IUPAC Name2-[2-(methylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol
SMILESCNc1ncc(-c2nc3ccc(O)cc3s2)cn1
InChIInChI=1S/C12H10N4OS/c1-13-12-14-5-7(6-15-12)11-16-9-3-2-8(17)4-10(9)18-11/h2-6,17H,1H3,(H,13,14,15)
InChIKeyXWIYHNUKKMYQKU-UHFFFAOYSA-N
XLogP2.50
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-(2,4-Dimethyl-Thiazol-5-Yl)-Pyrimidin-2-Ylamino)-Phenol
CID 447959
4-[4-(4-Methyl-2-Methylamino-Thiazol-5-Yl)-Pyrimidin-2-Ylamino]-Phenol
CID 447960
4-{[4-(3-Pyridinyl)-1,3-thiazol-2-yl]amino}phenol
CID 704553
Azd-2184
CID 16663275
2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 22
CID 6539289
4-[4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-ylamino]phenol
CID 6539291
4-[4-(2-Amino-4-methylthiazol-5-yl)pyrimidin-2-ylamino]phenol
CID 6539292
4-(2-Methyl-4,5-dihydro-thiazolo[4,5-h]quinazolin-8-ylamino)-phenol
CID 11266891
6-Methoxy-N-(3-pyridinylmethyl)-2-benzothiazolamine
CID 834526
4-{[4-(4-Pyridinyl)-1,3-thiazol-2-yl]amino}phenol
CID 704494
4,7-Dimethyl-2-[(3-pyridinylmethyl)amino]-1,3-benzothiazol-6-ol
CID 10334136
5-(6-methoxybenzo[d]thiazol-2-yl)-N,N-dimethylpyridin-2-amine
CID 24757878

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol?
The IUPAC name of 2-[2-(methylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol (CID 24804068) is 2-[2-(methylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol.
What is the SMILES notation for 2-[2-(methylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol?
The canonical SMILES for 2-[2-(methylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol is CNc1ncc(-c2nc3ccc(O)cc3s2)cn1.
What is the InChIKey of 2-[2-(methylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol?
The InChIKey is XWIYHNUKKMYQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS/c1-13-12-14-5-7(6-15-12)11-16-9-3-2-8(17)4-10(9)18-11/h2-6,17H,1H3,(H,13,14,15).
What are the key properties of 2-[2-(methylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol?
2-[2-(methylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol has a molecular weight of 258.31 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol is sourced from PubChem (CID 24804068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).