4-[2-[(3-chlorophenyl)methoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine

C19H18ClN5OS — CID 145104641

IUPAC4-[2-[(3-chlorophenyl)methoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESClc1cccc(COc2ncccc2-c2csc(NC3=NCCCN3)n2)c1
InChIInChI=1S/C19H18ClN5OS/c20-14-5-1-4-13(10-14)11-26-17-15(6-2-7-21-17)16-12-27-19(24-16)25-18-22-8-3-9-23-18/h1-2,4-7,10,12H,3,8-9,11H2,(H2,22,23,24,25)
InChIKeyKDLHRUNYVPDMKS-UHFFFAOYSA-N
MW399.91 g/mol
LogP4.20
Rot. Bonds5

About 4-[2-[(3-chlorophenyl)methoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine

4-[2-[(3-chlorophenyl)methoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine (PubChem CID 145104641) has the molecular formula C19H18ClN5OS and a molecular weight of 399.91 g/mol. Its IUPAC name is 4-[2-[(3-chlorophenyl)methoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-[(3-chlorophenyl)methoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
PubChem CID145104641
Molecular FormulaC19H18ClN5OS
Molecular Weight399.91 g/mol
Exact Mass399.09
IUPAC Name4-[2-[(3-chlorophenyl)methoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESClc1cccc(COc2ncccc2-c2csc(NC3=NCCCN3)n2)c1
InChIInChI=1S/C19H18ClN5OS/c20-14-5-1-4-13(10-14)11-26-17-15(6-2-7-21-17)16-12-27-19(24-16)25-18-22-8-3-9-23-18/h1-2,4-7,10,12H,3,8-9,11H2,(H2,22,23,24,25)
InChIKeyKDLHRUNYVPDMKS-UHFFFAOYSA-N
XLogP4.20
TPSA71.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.91
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-[(2,4-dichlorophenyl)methoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104213
4-[2-[4-chloro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104564
4-[2-[(3Z)-4-methoxyhexa-1,3,5-trien-3-yl]oxy-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104184
4-[2-[[3-[(6-methyl-3-pyridinyl)methoxy]phenyl]methoxy]-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145105183
4-[3-(4-chlorophenoxy)pyrazin-2-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104117
4-(2-chloro-4-pyridinyl)-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104006
4-(4-methylthiophen-3-yl)-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104897
2-[4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]phenol
CID 145104911
N-[(3-chlorophenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110913998
4-[6-(2,5-difluorophenyl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104153
4-[2-[[3-[(2E,4Z)-2-ethenylhexa-2,4-dienoxy]phenyl]methoxy]-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145105195
4-[6-[methyl(2-phenylethyl)amino]-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104009

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3-chlorophenyl)methoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-[(3-chlorophenyl)methoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine (CID 145104641) is 4-[2-[(3-chlorophenyl)methoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-[(3-chlorophenyl)methoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-[(3-chlorophenyl)methoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine is Clc1cccc(COc2ncccc2-c2csc(NC3=NCCCN3)n2)c1.
What is the InChIKey of 4-[2-[(3-chlorophenyl)methoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
The InChIKey is KDLHRUNYVPDMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5OS/c20-14-5-1-4-13(10-14)11-26-17-15(6-2-7-21-17)16-12-27-19(24-16)25-18-22-8-3-9-23-18/h1-2,4-7,10,12H,3,8-9,11H2,(H2,22,23,24,25).
What are the key properties of 4-[2-[(3-chlorophenyl)methoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
4-[2-[(3-chlorophenyl)methoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine has a molecular weight of 399.91 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3-chlorophenyl)methoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 145104641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).