1-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-3-(dimethylamino)-2-methylpropan-2-ol

C15H20ClN3OS — CID 133451634

IUPAC1-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCN(C)CC(C)(O)CNc1nc(-c2ccccc2Cl)cs1
InChIInChI=1S/C15H20ClN3OS/c1-15(20,10-19(2)3)9-17-14-18-13(8-21-14)11-6-4-5-7-12(11)16/h4-8,20H,9-10H2,1-3H3,(H,17,18)
InChIKeyYWIVNIVOUFYDAV-UHFFFAOYSA-N
MW325.87 g/mol
LogP3.19
Rot. Bonds6

About 1-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-3-(dimethylamino)-2-methylpropan-2-ol

1-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-3-(dimethylamino)-2-methylpropan-2-ol (PubChem CID 133451634) has the molecular formula C15H20ClN3OS and a molecular weight of 325.87 g/mol. Its IUPAC name is 1-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-3-(dimethylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-3-(dimethylamino)-2-methylpropan-2-ol
PubChem CID133451634
Molecular FormulaC15H20ClN3OS
Molecular Weight325.87 g/mol
Exact Mass325.10
IUPAC Name1-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCN(C)CC(C)(O)CNc1nc(-c2ccccc2Cl)cs1
InChIInChI=1S/C15H20ClN3OS/c1-15(20,10-19(2)3)9-17-14-18-13(8-21-14)11-6-4-5-7-12(11)16/h4-8,20H,9-10H2,1-3H3,(H,17,18)
InChIKeyYWIVNIVOUFYDAV-UHFFFAOYSA-N
XLogP3.19
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.87
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(dimethylamino)-3-[(4-ethyl-1,3-thiazol-2-yl)amino]-2-methylpropan-2-ol
CID 103837763
1-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 53338296
4-(2-chlorophenyl)-N-[(2R)-2-[(R)-methylsulfinyl]propyl]-1,3-thiazol-2-amine
CID 97350871
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 23860914
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,2-dimethyl-3,3-diphenylpropanamide
CID 59232782
2-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]propan-2-amine
CID 61338037
2,6-dichloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 35523547
1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-1-methylhydrazine
CID 148913640
2-bromo-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]butanamide
CID 62856308
2-(2-tert-butylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19196694
(E)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,3-diphenylprop-2-enamide
CID 19195372
4-chloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 19194946

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-3-(dimethylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-3-(dimethylamino)-2-methylpropan-2-ol (CID 133451634) is 1-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-3-(dimethylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-3-(dimethylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-3-(dimethylamino)-2-methylpropan-2-ol is CN(C)CC(C)(O)CNc1nc(-c2ccccc2Cl)cs1.
What is the InChIKey of 1-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-3-(dimethylamino)-2-methylpropan-2-ol?
The InChIKey is YWIVNIVOUFYDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3OS/c1-15(20,10-19(2)3)9-17-14-18-13(8-21-14)11-6-4-5-7-12(11)16/h4-8,20H,9-10H2,1-3H3,(H,17,18).
What are the key properties of 1-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-3-(dimethylamino)-2-methylpropan-2-ol?
1-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-3-(dimethylamino)-2-methylpropan-2-ol has a molecular weight of 325.87 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-3-(dimethylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 133451634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).