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

C16H23N3OS — CID 62780337

IUPAC[4-tert-butyl-2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCN(CCc1ccncc1)c1nc(C(C)(C)C)c(CO)s1
InChIInChI=1S/C16H23N3OS/c1-16(2,3)14-13(11-20)21-15(18-14)19(4)10-7-12-5-8-17-9-6-12/h5-6,8-9,20H,7,10-11H2,1-4H3
InChIKeyVEOXRCTXOMRWBK-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.01
Rot. Bonds5

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

[4-tert-butyl-2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazol-5-yl]methanol (PubChem CID 62780337) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is [4-tert-butyl-2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-tert-butyl-2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazol-5-yl]methanol
PubChem CID62780337
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name[4-tert-butyl-2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCN(CCc1ccncc1)c1nc(C(C)(C)C)c(CO)s1
InChIInChI=1S/C16H23N3OS/c1-16(2,3)14-13(11-20)21-15(18-14)19(4)10-7-12-5-8-17-9-6-12/h5-6,8-9,20H,7,10-11H2,1-4H3
InChIKeyVEOXRCTXOMRWBK-UHFFFAOYSA-N
XLogP3.01
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 62765594
[4-(methoxymethyl)-2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazol-5-yl]methanol
CID 107510918
[4-tert-butyl-2-[butyl(methyl)amino]-1,3-thiazol-5-yl]methanol
CID 62779812
[4-tert-butyl-2-[methyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol
CID 55117715
2-N-methyl-2-N-(2-pyridin-4-ylethyl)-1,3,4-thiadiazole-2,5-diamine
CID 6917214
[2-methyl-4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]methanol
CID 62134201
[4-tert-butyl-2-[cyclopentyl(methyl)amino]-1,3-thiazol-5-yl]methanol
CID 55117666
[4-tert-butyl-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazol-5-yl]methanol
CID 63706858
[4-tert-butyl-2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazol-5-yl]methanol
CID 102998063
1-[2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazol-5-yl]ethanone
CID 62751470
2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 62753825
2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazole-4-carboxylic acid
CID 80568996

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-tert-butyl-2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazol-5-yl]methanol (CID 62780337) is [4-tert-butyl-2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-tert-butyl-2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-tert-butyl-2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazol-5-yl]methanol is CN(CCc1ccncc1)c1nc(C(C)(C)C)c(CO)s1.
What is the InChIKey of [4-tert-butyl-2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazol-5-yl]methanol?
The InChIKey is VEOXRCTXOMRWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-16(2,3)14-13(11-20)21-15(18-14)19(4)10-7-12-5-8-17-9-6-12/h5-6,8-9,20H,7,10-11H2,1-4H3.
What are the key properties of [4-tert-butyl-2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazol-5-yl]methanol?
[4-tert-butyl-2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazol-5-yl]methanol has a molecular weight of 305.45 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 62780337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).