4-amino-2-(ethylamino)-N-[(2-methoxy-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide

C13H17N5O2S — CID 116665794

IUPAC4-amino-2-(ethylamino)-N-[(2-methoxy-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(N)c(C(=O)NCc2ccnc(OC)c2)s1
InChIInChI=1S/C13H17N5O2S/c1-3-15-13-18-11(14)10(21-13)12(19)17-7-8-4-5-16-9(6-8)20-2/h4-6H,3,7,14H2,1-2H3,(H,15,18)(H,17,19)
InChIKeyVUEGTUKYKRVYJN-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.49
Rot. Bonds6

About 4-amino-2-(ethylamino)-N-[(2-methoxy-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide

4-amino-2-(ethylamino)-N-[(2-methoxy-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 116665794) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is 4-amino-2-(ethylamino)-N-[(2-methoxy-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(ethylamino)-N-[(2-methoxy-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID116665794
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC Name4-amino-2-(ethylamino)-N-[(2-methoxy-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(N)c(C(=O)NCc2ccnc(OC)c2)s1
InChIInChI=1S/C13H17N5O2S/c1-3-15-13-18-11(14)10(21-13)12(19)17-7-8-4-5-16-9(6-8)20-2/h4-6H,3,7,14H2,1-2H3,(H,15,18)(H,17,19)
InChIKeyVUEGTUKYKRVYJN-UHFFFAOYSA-N
XLogP1.49
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-2-(ethylamino)-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 116668197
N-[(2-methoxy-4-pyridinyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 47146135
4-(ethylamino)-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 62991671
4-amino-2-(ethylamino)-N-[(3-ethyl-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 116672026
5-(ethylamino)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-2-carboxamide
CID 104641230
4-amino-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-2-carboxamide
CID 62991134
N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 51088106
4-amino-2-(ethylamino)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116663961
4-amino-N-[(2-methoxy-4-pyridinyl)methyl]-6-methylpyridine-3-carboxamide
CID 81242051
4-amino-3,5-dichloro-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 82783281
3-amino-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 62072661
6-amino-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 62073001

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(ethylamino)-N-[(2-methoxy-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(ethylamino)-N-[(2-methoxy-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide (CID 116665794) is 4-amino-2-(ethylamino)-N-[(2-methoxy-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(ethylamino)-N-[(2-methoxy-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(ethylamino)-N-[(2-methoxy-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide is CCNc1nc(N)c(C(=O)NCc2ccnc(OC)c2)s1.
What is the InChIKey of 4-amino-2-(ethylamino)-N-[(2-methoxy-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is VUEGTUKYKRVYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S/c1-3-15-13-18-11(14)10(21-13)12(19)17-7-8-4-5-16-9(6-8)20-2/h4-6H,3,7,14H2,1-2H3,(H,15,18)(H,17,19).
What are the key properties of 4-amino-2-(ethylamino)-N-[(2-methoxy-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide?
4-amino-2-(ethylamino)-N-[(2-methoxy-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 307.38 g/mol, XLogP of 1.49, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(ethylamino)-N-[(2-methoxy-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116665794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).