N-(4-chloro-2-methoxy-5-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine

C11H13ClN2OS — CID 29068100

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOc1cc(Cl)c(C)cc1NC1=NCCS1
InChIInChI=1S/C11H13ClN2OS/c1-7-5-9(10(15-2)6-8(7)12)14-11-13-3-4-16-11/h5-6H,3-4H2,1-2H3,(H,13,14)
InChIKeyVWKLGDTUZFSKIL-UHFFFAOYSA-N
MW256.76 g/mol
LogP3.17
Rot. Bonds2

About N-(4-chloro-2-methoxy-5-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine

N-(4-chloro-2-methoxy-5-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 29068100) has the molecular formula C11H13ClN2OS and a molecular weight of 256.76 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID29068100
Molecular FormulaC11H13ClN2OS
Molecular Weight256.76 g/mol
Exact Mass256.04
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOc1cc(Cl)c(C)cc1NC1=NCCS1
InChIInChI=1S/C11H13ClN2OS/c1-7-5-9(10(15-2)6-8(7)12)14-11-13-3-4-16-11/h5-6H,3-4H2,1-2H3,(H,13,14)
InChIKeyVWKLGDTUZFSKIL-UHFFFAOYSA-N
XLogP3.17
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.76
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351151
2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-5-methylpyrimidin-4-amine
CID 79075212
2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methylpyrimidin-4-amine
CID 55080744
4-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-thiazol-2-amine
CID 83152214
4-N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidine-4,5-diamine
CID 79915939
2-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-2,3-diamine
CID 28846412
N-(4-chloro-2-methoxy-5-methylphenyl)-1,4-dimethylimidazol-2-amine
CID 106556111
N-(4-chloro-2-methoxy-5-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 2402575
N-(4-chloro-2-methoxy-5-methylphenyl)-1-propan-2-ylimidazol-2-amine
CID 106556110
4-N-(4-chloro-2-methoxy-5-methylphenyl)-6-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine
CID 112857539
4-chloro-N-cyclopentyl-2-methoxy-5-methylaniline
CID 30050493
2,4-dichloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methylbenzenesulfonamide
CID 163351549

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 29068100) is N-(4-chloro-2-methoxy-5-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine is COc1cc(Cl)c(C)cc1NC1=NCCS1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is VWKLGDTUZFSKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2OS/c1-7-5-9(10(15-2)6-8(7)12)14-11-13-3-4-16-11/h5-6H,3-4H2,1-2H3,(H,13,14).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(4-chloro-2-methoxy-5-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 256.76 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 29068100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).