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

C13H19N3OS2 — CID 79393653

IUPAC[2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
SMILESCc1ncsc1CN(C)c1nc(C(C)C)c(CO)s1
InChIInChI=1S/C13H19N3OS2/c1-8(2)12-11(6-17)19-13(15-12)16(4)5-10-9(3)14-7-18-10/h7-8,17H,5-6H2,1-4H3
InChIKeySZQLOXPPGAAXIW-UHFFFAOYSA-N
MW297.45 g/mol
LogP3.16
Rot. Bonds5

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

[2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol (PubChem CID 79393653) has the molecular formula C13H19N3OS2 and a molecular weight of 297.45 g/mol. Its IUPAC name is [2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
PubChem CID79393653
Molecular FormulaC13H19N3OS2
Molecular Weight297.45 g/mol
Exact Mass297.10
IUPAC Name[2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
SMILESCc1ncsc1CN(C)c1nc(C(C)C)c(CO)s1
InChIInChI=1S/C13H19N3OS2/c1-8(2)12-11(6-17)19-13(15-12)16(4)5-10-9(3)14-7-18-10/h7-8,17H,5-6H2,1-4H3
InChIKeySZQLOXPPGAAXIW-UHFFFAOYSA-N
XLogP3.16
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(4-chlorophenyl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 79392577
[2-[methyl(propan-2-yl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 79393490
4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazol-2-amine
CID 63917628
[2-[(2-methoxyphenyl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 79396852
[2-[(3-chlorophenyl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 79392645
[2-[methyl(3,3,3-trifluoropropyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 79400563
[2-[methyl(pentyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 79392570
4-chloro-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid
CID 80693605
[4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]methanol
CID 63837123
5-[1-(ethylamino)ethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazol-2-amine
CID 63840146
[2-[methyl(oxan-4-ylmethyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 79393576
4-N,5-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80983692

Frequently Asked Questions

What is the IUPAC name of [2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol (CID 79393653) is [2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol is Cc1ncsc1CN(C)c1nc(C(C)C)c(CO)s1.
What is the InChIKey of [2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
The InChIKey is SZQLOXPPGAAXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS2/c1-8(2)12-11(6-17)19-13(15-12)16(4)5-10-9(3)14-7-18-10/h7-8,17H,5-6H2,1-4H3.
What are the key properties of [2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
[2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol has a molecular weight of 297.45 g/mol, XLogP of 3.16, 5 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]-4-propan-2-yl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 79393653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).