4-methoxy-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidin-2-amine

C14H18N4OS — CID 133415324

IUPAC4-methoxy-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidin-2-amine
SMILESCOc1ccnc(NCCc2nc3c(s2)CCCC3)n1
InChIInChI=1S/C14H18N4OS/c1-19-12-6-8-15-14(18-12)16-9-7-13-17-10-4-2-3-5-11(10)20-13/h6,8H,2-5,7,9H2,1H3,(H,15,16,18)
InChIKeyLGVDTPXROGCTPV-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.48
Rot. Bonds5

About 4-methoxy-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidin-2-amine

4-methoxy-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidin-2-amine (PubChem CID 133415324) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 4-methoxy-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidin-2-amine
PubChem CID133415324
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name4-methoxy-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidin-2-amine
SMILESCOc1ccnc(NCCc2nc3c(s2)CCCC3)n1
InChIInChI=1S/C14H18N4OS/c1-19-12-6-8-15-14(18-12)16-9-7-13-17-10-4-2-3-5-11(10)20-13/h6,8H,2-5,7,9H2,1H3,(H,15,16,18)
InChIKeyLGVDTPXROGCTPV-UHFFFAOYSA-N
XLogP2.48
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methoxy-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidin-2-amine with MolForge

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Related Compounds

N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-6-methoxypyrimidin-4-amine
CID 50974600
N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-methoxypyrimidin-2-amine
CID 78818873
2-chloro-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyridin-4-amine
CID 133415553
N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]propan-2-amine
CID 82114962
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4,5,6-trimethylpyrimidin-2-amine
CID 163305721
2-[2-[(4-methoxypyrimidin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372427
N-(4-methoxypyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62664484
2-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-N-methylethanamine
CID 4223788
3-methyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]aniline
CID 94282036
N-ethyl-4-methoxypyrimidin-2-amine
CID 20510275
N-(cyclopentylmethyl)-4-methoxypyrimidin-2-amine
CID 112684482
N-but-3-ynyl-4-methoxypyrimidin-2-amine
CID 112690842

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidin-2-amine (CID 133415324) is 4-methoxy-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidin-2-amine is COc1ccnc(NCCc2nc3c(s2)CCCC3)n1.
What is the InChIKey of 4-methoxy-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidin-2-amine?
The InChIKey is LGVDTPXROGCTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-19-12-6-8-15-14(18-12)16-9-7-13-17-10-4-2-3-5-11(10)20-13/h6,8H,2-5,7,9H2,1H3,(H,15,16,18).
What are the key properties of 4-methoxy-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidin-2-amine?
4-methoxy-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidin-2-amine has a molecular weight of 290.39 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 133415324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).