N-tert-butyl-4-(3-methoxyphenyl)-1,3-thiazol-2-amine

C14H18N2OS — CID 60642120

IUPACN-tert-butyl-4-(3-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1cccc(-c2csc(NC(C)(C)C)n2)c1
InChIInChI=1S/C14H18N2OS/c1-14(2,3)16-13-15-12(9-18-13)10-6-5-7-11(8-10)17-4/h5-9H,1-4H3,(H,15,16)
InChIKeyFPUZSHSQUNPZCL-UHFFFAOYSA-N
MW262.38 g/mol
LogP4.03
Rot. Bonds3

About N-tert-butyl-4-(3-methoxyphenyl)-1,3-thiazol-2-amine

N-tert-butyl-4-(3-methoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 60642120) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N-tert-butyl-4-(3-methoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(3-methoxyphenyl)-1,3-thiazol-2-amine
PubChem CID60642120
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN-tert-butyl-4-(3-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1cccc(-c2csc(NC(C)(C)C)n2)c1
InChIInChI=1S/C14H18N2OS/c1-14(2,3)16-13-15-12(9-18-13)10-6-5-7-11(8-10)17-4/h5-9H,1-4H3,(H,15,16)
InChIKeyFPUZSHSQUNPZCL-UHFFFAOYSA-N
XLogP4.03
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 62942552
4-(3-methoxyphenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110536570
N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 19196276
4-(3-methoxyphenyl)-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine
CID 123700525
4-(3-methoxyphenyl)-N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110537463
N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-nitrobenzenesulfonamide
CID 19203710
4-(3-methoxyphenyl)-N-[(Z)-(2-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110536568
3-(4-methoxyphenyl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 4564383
N-tert-butyl-4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 62942366
4-(4-tert-butylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 19197128
1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]ethanone
CID 46785544
2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(3-methoxyphenyl)-1,3-thiazole
CID 46246000

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(3-methoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-tert-butyl-4-(3-methoxyphenyl)-1,3-thiazol-2-amine (CID 60642120) is N-tert-butyl-4-(3-methoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-tert-butyl-4-(3-methoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-tert-butyl-4-(3-methoxyphenyl)-1,3-thiazol-2-amine is COc1cccc(-c2csc(NC(C)(C)C)n2)c1.
What is the InChIKey of N-tert-butyl-4-(3-methoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is FPUZSHSQUNPZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-14(2,3)16-13-15-12(9-18-13)10-6-5-7-11(8-10)17-4/h5-9H,1-4H3,(H,15,16).
What are the key properties of N-tert-butyl-4-(3-methoxyphenyl)-1,3-thiazol-2-amine?
N-tert-butyl-4-(3-methoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 262.38 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(3-methoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 60642120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).