N-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine

C16H29N3OS — CID 79382131

IUPACN-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCCN(CC1CC1)c1nc(C(C)C)c(CNCCOC)s1
InChIInChI=1S/C16H29N3OS/c1-5-19(11-13-6-7-13)16-18-15(12(2)3)14(21-16)10-17-8-9-20-4/h12-13,17H,5-11H2,1-4H3
InChIKeyWJTHWPSNHXCUHT-UHFFFAOYSA-N
MW311.50 g/mol
LogP3.24
Rot. Bonds10

About N-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine

N-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 79382131) has the molecular formula C16H29N3OS and a molecular weight of 311.50 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
PubChem CID79382131
Molecular FormulaC16H29N3OS
Molecular Weight311.50 g/mol
Exact Mass311.20
IUPAC NameN-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCCN(CC1CC1)c1nc(C(C)C)c(CNCCOC)s1
InChIInChI=1S/C16H29N3OS/c1-5-19(11-13-6-7-13)16-18-15(12(2)3)14(21-16)10-17-8-9-20-4/h12-13,17H,5-11H2,1-4H3
InChIKeyWJTHWPSNHXCUHT-UHFFFAOYSA-N
XLogP3.24
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.50
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propyl-1,3-thiazol-2-amine
CID 63938166
N-benzyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 113247542
5-[(2-methoxyethylamino)methyl]-N-(1-methoxypropan-2-yl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 79382219
N-(cyclobutylmethyl)-5-[(cyclopropylamino)methyl]-N-ethyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 107402319
N-(cyclopropylmethyl)-4-propan-2-yl-5-[(propan-2-ylamino)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79380658
N-(cyclopropylmethyl)-N-ethyl-5-(ethylaminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-amine
CID 107510450
N-[(2-cyclopropyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82434552
N-(cyclopropylmethyl)-N,4-diethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 63940677
N-cyclopropyl-N-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-4-methyl-1,3-thiazol-2-amine
CID 64519919
N-butan-2-yl-4-cyclopropyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
CID 63918309
N-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine
CID 107509930
N-(cyclopropylmethyl)-N-ethyl-5-[(2-methylpropylamino)methyl]-4-propyl-1,3-thiazol-2-amine
CID 63941083

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine (CID 79382131) is N-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine is CCN(CC1CC1)c1nc(C(C)C)c(CNCCOC)s1.
What is the InChIKey of N-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is WJTHWPSNHXCUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3OS/c1-5-19(11-13-6-7-13)16-18-15(12(2)3)14(21-16)10-17-8-9-20-4/h12-13,17H,5-11H2,1-4H3.
What are the key properties of N-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine?
N-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 311.50 g/mol, XLogP of 3.24, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 79382131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).