1-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]-3-methylbutan-2-ol

C12H23N3OS — CID 111421913

IUPAC1-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]-3-methylbutan-2-ol
SMILESCc1nc(N(C)C)sc1CNCC(O)C(C)C
InChIInChI=1S/C12H23N3OS/c1-8(2)10(16)6-13-7-11-9(3)14-12(17-11)15(4)5/h8,10,13,16H,6-7H2,1-5H3
InChIKeyKFBKFNGLGXXZDL-UHFFFAOYSA-N
MW257.40 g/mol
LogP1.62
Rot. Bonds6

About 1-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]-3-methylbutan-2-ol

1-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]-3-methylbutan-2-ol (PubChem CID 111421913) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is 1-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]-3-methylbutan-2-ol
PubChem CID111421913
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC Name1-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]-3-methylbutan-2-ol
SMILESCc1nc(N(C)C)sc1CNCC(O)C(C)C
InChIInChI=1S/C12H23N3OS/c1-8(2)10(16)6-13-7-11-9(3)14-12(17-11)15(4)5/h8,10,13,16H,6-7H2,1-5H3
InChIKeyKFBKFNGLGXXZDL-UHFFFAOYSA-N
XLogP1.62
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(ethylaminomethyl)-N,N,4-trimethyl-1,3-thiazol-2-amine
CID 46785712
1-(5-chlorothiophen-2-yl)-2-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]ethanol
CID 111469610
N-ethyl-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62764514
1-[[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]methyl]cyclobutan-1-ol
CID 111114578
2-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]-1-(3-methoxyphenyl)ethanol
CID 111114822
5-[(3-fluoropropylamino)methyl]-N,N,4-trimethyl-1,3-thiazol-2-amine
CID 115732929
N,N,4-trimethyl-5-[(2-methylsulfanylethylamino)methyl]-1,3-thiazol-2-amine
CID 115600609
N-cyclopropyl-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62767601
N,N,4-trimethyl-5-[(pentan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 115600536
N,N,4-trimethyl-5-[(2-methylsulfinylethylamino)methyl]-1,3-thiazol-2-amine
CID 115632590
5-[(2,3-dimethylbutylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 64569644
N,N-dimethyl-N'-[4-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]-N'-propylethane-1,2-diamine
CID 62766692

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]-3-methylbutan-2-ol?
The IUPAC name of 1-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]-3-methylbutan-2-ol (CID 111421913) is 1-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]-3-methylbutan-2-ol.
What is the SMILES notation for 1-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]-3-methylbutan-2-ol?
The canonical SMILES for 1-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]-3-methylbutan-2-ol is Cc1nc(N(C)C)sc1CNCC(O)C(C)C.
What is the InChIKey of 1-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]-3-methylbutan-2-ol?
The InChIKey is KFBKFNGLGXXZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-8(2)10(16)6-13-7-11-9(3)14-12(17-11)15(4)5/h8,10,13,16H,6-7H2,1-5H3.
What are the key properties of 1-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]-3-methylbutan-2-ol?
1-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]-3-methylbutan-2-ol has a molecular weight of 257.40 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]-3-methylbutan-2-ol is sourced from PubChem (CID 111421913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).